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

Systemtic Name: 2-azanyl-7,7-dimethyl-5-oxidanylidene-4-(3-phenylmethoxyphenyl)-1-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)-6,8-dihydro-4H-quinoline-3-carbonitrile Openeye Name: 1-(5-allylsulfanyl-1,3,4-thiadiazol-2-yl)-2-amino-4-(3-benzyloxyphenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile CAS Name: 2-amino-7,7-dimethyl-5-oxo-4-(3-phenylmethoxyphenyl)-1-[5-(prop-2-enylthio)-1,3,4-thiadiazol-2-yl]-6,8-dihydro-4H-quinoline-3-carbonitrile IUPAC Name: 2-amino-7,7-dimethyl-5-oxo-4-(3-phenylmethoxyphenyl)-1-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)-6,8-dihydro-4H-quinoline-3-carbonitrile Traditional Name: 1-[5-(allylthio)-1,3,4-thiadiazol-2-yl]-2-amino-4-(3-benzoxyphenyl)-5-keto-7,7-dimethyl-6,8-dihydro-4H-quinoline-3-carbonitrile Formula: C30H29N5O2S2 MolecularWeight: 555.71356

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(C(=C(N2C3=NN=C(S3)SCC=C)N)C#N)C4=CC(=CC=C4)OCC5=CC=CC=C5)C(=O)C1)C

Isomeric SMILES

CC1(CC2=C(C(C(=C(N2C3=NN=C(S3)SCC=C)N)C#N)C4=CC(=CC=C4)OCC5=CC=CC=C5)C(=O)C1)C

InChI

InChI=1S/C30H29N5O2S2/c1-4-13-38-29-34-33-28(39-29)35-23-15-30(2,3)16-24(36)26(23)25(22(17-31)27(35)32)20-11-8-12-21(14-20)37-18-19-9-6-5-7-10-19/h4-12,14,25H,1,13,15-16,18,32H2,2-3H3