1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[[4-(3,4-dimethylphenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanone

Systemtic Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[[4-(3,4-dimethylphenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[[4-(3,4-dimethylphenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[[4-(3,4-dimethylphenyl)-5-methyl-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[[4-(3,4-dimethylphenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanone Traditional Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[[4-(3,4-dimethylphenyl)-5-methyl-1,2,4-triazol-3-yl]thio]ethanone Formula: C22H24N4OS MolecularWeight: 392.51716

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=NN=C2SCC(=O)N3CCC4=CC=CC=C4C3)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=NN=C2SCC(=O)N3CCC4=CC=CC=C4C3)C)C

InChI

InChI=1S/C22H24N4OS/c1-15-8-9-20(12-16(15)2)26-17(3)23-24-22(26)28-14-21(27)25-11-10-18-6-4-5-7-19(18)13-25/h4-9,12H,10-11,13-14H2,1-3H3