1-cyano-2-methyl-3-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]guanidine; 2-methylsulfonylethyl 2-(6-methoxynaphthalen-2-yl)propanoate

Systemtic Name: 1-cyano-2-methyl-3-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]guanidine; 2-methylsulfonylethyl 2-(6-methoxynaphthalen-2-yl)propanoate Openeye Name: 1-cyano-2-methyl-3-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]guanidine; 2-methylsulfonylethyl 2-(6-methoxy-2-naphthyl)propanoate CAS Name: 1-cyano-2-methyl-3-[2-[(5-methyl-1H-imidazol-4-yl)methylthio]ethyl]guanidine; 2-(6-methoxy-2-naphthalenyl)propanoic acid 2-methylsulfonylethyl ester IUPAC Name: 1-cyano-2-methyl-3-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]guanidine; 2-methylsulfonylethyl 2-(6-methoxynaphthalen-2-yl)propanoate Traditional Name: 1-cyano-2-methyl-3-[2-[(5-methyl-1H-imidazol-4-yl)methylthio]ethyl]guanidine; 2-(6-methoxy-2-naphthyl)propionic acid 2-mesylethyl ester Formula: C27H36N6O5S2 MolecularWeight: 588.74194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CN1)CSCCNC(=NC)NC#N.CC(C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)OCCS(=O)(=O)C

Isomeric SMILES

CC1=C(N=CN1)CSCCNC(=NC)NC#N.CC(C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)OCCS(=O)(=O)C

InChI

InChI=1S/C17H20O5S.C10H16N6S/c1-12(17(18)22-8-9-23(3,19)20)13-4-5-15-11-16(21-2)7-6-14(15)10-13;1-8-9(16-7-15-8)5-17-4-3-13-10(12-2)14-6-11/h4-7,10-12H,8-9H2,1-3H3;7H,3-5H2,1-2H3,(H,15,16)(H2,12,13,14)