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

Systemtic Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[(5-indol-3-ylidene-4-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[(5-indol-3-ylidene-4-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone CAS Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[[5-(3-indolylidene)-4-methyl-1H-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[(5-indol-3-ylidene-4-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[(5-indol-3-ylidene-4-methyl-1H-1,2,4-triazol-3-yl)thio]ethanone Formula: C22H21N5OS MolecularWeight: 403.50004

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C2C=NC3=CC=CC=C32)NN=C1SCC(=O)N4CCC5=CC=CC=C5C4

Isomeric SMILES

CN1C(=C2C=NC3=CC=CC=C32)NN=C1SCC(=O)N4CCC5=CC=CC=C5C4

InChI

InChI=1S/C22H21N5OS/c1-26-21(18-12-23-19-9-5-4-8-17(18)19)24-25-22(26)29-14-20(28)27-11-10-15-6-2-3-7-16(15)13-27/h2-9,12,24H,10-11,13-14H2,1H3