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

Systemtic Name: 2-azanyl-4-(2,5-dimethylthiophen-3-yl)-7,7-dimethyl-5-oxidanylidene-1-(1H-1,2,4-triazol-5-yl)-6,8-dihydro-4H-quinoline-3-carbonitrile Openeye Name: 2-amino-4-(2,5-dimethyl-3-thienyl)-7,7-dimethyl-5-oxo-1-(1H-1,2,4-triazol-5-yl)-6,8-dihydro-4H-quinoline-3-carbonitrile CAS Name: 2-amino-4-(2,5-dimethyl-3-thiophenyl)-7,7-dimethyl-5-oxo-1-(1H-1,2,4-triazol-5-yl)-6,8-dihydro-4H-quinoline-3-carbonitrile IUPAC Name: 2-amino-4-(2,5-dimethylthiophen-3-yl)-7,7-dimethyl-5-oxo-1-(1H-1,2,4-triazol-5-yl)-6,8-dihydro-4H-quinoline-3-carbonitrile Traditional Name: 2-amino-4-(2,5-dimethyl-3-thienyl)-5-keto-7,7-dimethyl-1-(1H-1,2,4-triazol-5-yl)-6,8-dihydro-4H-quinoline-3-carbonitrile Formula: C20H22N6OS MolecularWeight: 394.49328

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)C)C2C(=C(N(C3=C2C(=O)CC(C3)(C)C)C4=NC=NN4)N)C#N

Isomeric SMILES

CC1=CC(=C(S1)C)C2C(=C(N(C3=C2C(=O)CC(C3)(C)C)C4=NC=NN4)N)C#N

InChI

InChI=1S/C20H22N6OS/c1-10-5-12(11(2)28-10)16-13(8-21)18(22)26(19-23-9-24-25-19)14-6-20(3,4)7-15(27)17(14)16/h5,9,16H,6-7,22H2,1-4H3,(H,23,24,25)