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

Systemtic Name: 1-(3-chlorophenyl)-3-cyano-2-[(3S,4R)-6-cyano-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromen-4-yl]guanidine Openeye Name: 1-(3-chlorophenyl)-3-cyano-2-[(3S,4R)-6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl]guanidine CAS Name: 1-(3-chlorophenyl)-3-cyano-2-[(3S,4R)-6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl]guanidine IUPAC Name: 1-(3-chlorophenyl)-3-cyano-2-[(3S,4R)-6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]guanidine Traditional Name: 1-(3-chlorophenyl)-3-cyano-2-[(3S,4R)-6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl]guanidine Formula: C20H18ClN5O2 MolecularWeight: 395.84222

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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)Cl)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)Cl)O)C

InChI

InChI=1S/C20H18ClN5O2/c1-20(2)18(27)17(15-8-12(10-22)6-7-16(15)28-20)26-19(24-11-23)25-14-5-3-4-13(21)9-14/h3-9,17-18,27H,1-2H3,(H2,24,25,26)/t17-,18+/m1/s1