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

Systemtic Name: 2-azanyl-4-(4-ethylphenyl)-7,7-dimethyl-5-oxidanylidene-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-(4-ethylphenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile CAS Name: 2-amino-4-(4-ethylphenyl)-7,7-dimethyl-5-oxo-1-[5-(prop-2-enylthio)-1,3,4-thiadiazol-2-yl]-6,8-dihydro-4H-quinoline-3-carbonitrile IUPAC Name: 2-amino-4-(4-ethylphenyl)-7,7-dimethyl-5-oxo-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-(4-ethylphenyl)-5-keto-7,7-dimethyl-6,8-dihydro-4H-quinoline-3-carbonitrile Formula: C25H27N5OS2 MolecularWeight: 477.64478

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2C(=C(N(C3=C2C(=O)CC(C3)(C)C)C4=NN=C(S4)SCC=C)N)C#N

Isomeric SMILES

CCC1=CC=C(C=C1)C2C(=C(N(C3=C2C(=O)CC(C3)(C)C)C4=NN=C(S4)SCC=C)N)C#N

InChI

InChI=1S/C25H27N5OS2/c1-5-11-32-24-29-28-23(33-24)30-18-12-25(3,4)13-19(31)21(18)20(17(14-26)22(30)27)16-9-7-15(6-2)8-10-16/h5,7-10,20H,1,6,11-13,27H2,2-4H3