1-cyano-2-[(3S,4R)-6-cyano-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromen-4-yl]-3-(3-methylsulfanylphenyl)guanidine

Systemtic Name: 1-cyano-2-[(3S,4R)-6-cyano-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromen-4-yl]-3-(3-methylsulfanylphenyl)guanidine Openeye Name: 1-cyano-2-[(3S,4R)-6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl]-3-(3-methylsulfanylphenyl)guanidine CAS Name: 1-cyano-2-[(3S,4R)-6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl]-3-[3-(methylthio)phenyl]guanidine IUPAC Name: 1-cyano-2-[(3S,4R)-6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-(3-methylsulfanylphenyl)guanidine Traditional Name: 1-cyano-2-[(3S,4R)-6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl]-3-[3-(methylthio)phenyl]guanidine Formula: C21H21N5O2S MolecularWeight: 407.48874

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C=CC(=C2)C#N)N=C(NC#N)NC3=CC(=CC=C3)SC)O)C

Isomeric SMILES

CC1([C@H]([C@@H](C2=C(O1)C=CC(=C2)C#N)N=C(NC#N)NC3=CC(=CC=C3)SC)O)C

InChI

InChI=1S/C21H21N5O2S/c1-21(2)19(27)18(16-9-13(11-22)7-8-17(16)28-21)26-20(24-12-23)25-14-5-4-6-15(10-14)29-3/h4-10,18-19,27H,1-3H3,(H2,24,25,26)/t18-,19+/m1/s1