1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)ethanone

Systemtic Name: 1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)ethanone Openeye Name: 1-[4-(m-tolylmethyl)piperazin-1-yl]-2-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]ethanone CAS Name: 1-[4-[(3-methylphenyl)methyl]-1-piperazinyl]-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)ethanone IUPAC Name: 1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)ethanone Traditional Name: 1-[4-(3-methylbenzyl)piperazino]-2-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]ethanone Formula: C20H23N5OS2 MolecularWeight: 413.55952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2CCN(CC2)C(=O)CN3C(=NNC3=S)C4=CC=CS4

Isomeric SMILES

CC1=CC(=CC=C1)CN2CCN(CC2)C(=O)CN3C(=NNC3=S)C4=CC=CS4

InChI

InChI=1S/C20H23N5OS2/c1-15-4-2-5-16(12-15)13-23-7-9-24(10-8-23)18(26)14-25-19(21-22-20(25)27)17-6-3-11-28-17/h2-6,11-12H,7-10,13-14H2,1H3,(H,22,27)