benzoic acid; 1-cyano-2-methyl-3-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]guanidine

Systemtic Name: benzoic acid; 1-cyano-2-methyl-3-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]guanidine Openeye Name: benzoic acid; 1-cyano-2-methyl-3-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]guanidine CAS Name: benzoic acid; 1-cyano-2-methyl-3-[2-[(5-methyl-1H-imidazol-4-yl)methylthio]ethyl]guanidine IUPAC Name: benzoic acid; 1-cyano-2-methyl-3-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]guanidine Traditional Name: benzoic acid; 1-cyano-2-methyl-3-[2-[(5-methyl-1H-imidazol-4-yl)methylthio]ethyl]guanidine Formula: C17H22N6O2S MolecularWeight: 374.46058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CN1)CSCCNC(=NC)NC#N.C1=CC=C(C=C1)C(=O)O

Isomeric SMILES

CC1=C(N=CN1)CSCCNC(=NC)NC#N.C1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C10H16N6S.C7H6O2/c1-8-9(16-7-15-8)5-17-4-3-13-10(12-2)14-6-11;8-7(9)6-4-2-1-3-5-6/h7H,3-5H2,1-2H3,(H,15,16)(H2,12,13,14);1-5H,(H,8,9)