2-azanyl-7,7-dimethyl-5-oxidanylidene-4-phenyl-1-[5-(phenylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]-6,8-dihydro-4H-quinoline-3-carbonitrile

Systemtic Name: 2-azanyl-7,7-dimethyl-5-oxidanylidene-4-phenyl-1-[5-(phenylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]-6,8-dihydro-4H-quinoline-3-carbonitrile Openeye Name: 2-amino-1-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-7,7-dimethyl-5-oxo-4-phenyl-6,8-dihydro-4H-quinoline-3-carbonitrile CAS Name: 2-amino-7,7-dimethyl-5-oxo-4-phenyl-1-[5-(phenylmethylthio)-1,3,4-thiadiazol-2-yl]-6,8-dihydro-4H-quinoline-3-carbonitrile IUPAC Name: 2-amino-1-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-7,7-dimethyl-5-oxo-4-phenyl-6,8-dihydro-4H-quinoline-3-carbonitrile Traditional Name: 2-amino-1-[5-(benzylthio)-1,3,4-thiadiazol-2-yl]-5-keto-7,7-dimethyl-4-phenyl-6,8-dihydro-4H-quinoline-3-carbonitrile Formula: C27H25N5OS2 MolecularWeight: 499.6503

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(C(=C(N2C3=NN=C(S3)SCC4=CC=CC=C4)N)C#N)C5=CC=CC=C5)C(=O)C1)C

Isomeric SMILES

CC1(CC2=C(C(C(=C(N2C3=NN=C(S3)SCC4=CC=CC=C4)N)C#N)C5=CC=CC=C5)C(=O)C1)C

InChI

InChI=1S/C27H25N5OS2/c1-27(2)13-20-23(21(33)14-27)22(18-11-7-4-8-12-18)19(15-28)24(29)32(20)25-30-31-26(35-25)34-16-17-9-5-3-6-10-17/h3-12,22H,13-14,16,29H2,1-2H3