2-azanyl-4-(3-methoxyphenyl)-7,7-dimethyl-5-oxidanylidene-1-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)-6,8-dihydro-4H-quinoline-3-carbonitrile

Systemtic Name: 2-azanyl-4-(3-methoxyphenyl)-7,7-dimethyl-5-oxidanylidene-1-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)-6,8-dihydro-4H-quinoline-3-carbonitrile Openeye Name: 2-amino-4-(3-methoxyphenyl)-7,7-dimethyl-5-oxo-1-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)-6,8-dihydro-4H-quinoline-3-carbonitrile CAS Name: 2-amino-4-(3-methoxyphenyl)-7,7-dimethyl-5-oxo-1-[5-(phenacylthio)-1,3,4-thiadiazol-2-yl]-6,8-dihydro-4H-quinoline-3-carbonitrile IUPAC Name: 2-amino-4-(3-methoxyphenyl)-7,7-dimethyl-5-oxo-1-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)-6,8-dihydro-4H-quinoline-3-carbonitrile Traditional Name: 2-amino-5-keto-4-(3-methoxyphenyl)-7,7-dimethyl-1-[5-(phenacylthio)-1,3,4-thiadiazol-2-yl]-6,8-dihydro-4H-quinoline-3-carbonitrile Formula: C29H27N5O3S2 MolecularWeight: 557.68638

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H27N5O3S2/c1-29(2)13-21-25(22(35)14-29)24(18-10-7-11-19(12-18)37-3)20(15-30)26(31)34(21)27-32-33-28(39-27)38-16-23(36)17-8-5-4-6-9-17/h4-12,24H,13-14,16,31H2,1-3H3