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

Systemtic Name: 2-azanyl-7,7-dimethyl-5-oxidanylidene-1-[5-(phenylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]-4-thiophen-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-(2-thienyl)-6,8-dihydro-4H-quinoline-3-carbonitrile CAS Name: 2-amino-7,7-dimethyl-5-oxo-1-[5-(phenylmethylthio)-1,3,4-thiadiazol-2-yl]-4-thiophen-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-thiophen-2-yl-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-(2-thienyl)-6,8-dihydro-4H-quinoline-3-carbonitrile Formula: C25H23N5OS3 MolecularWeight: 505.67802

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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=CS5)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=CS5)C(=O)C1)C

InChI

InChI=1S/C25H23N5OS3/c1-25(2)11-17-21(18(31)12-25)20(19-9-6-10-32-19)16(13-26)22(27)30(17)23-28-29-24(34-23)33-14-15-7-4-3-5-8-15/h3-10,20H,11-12,14,27H2,1-2H3