2-[4-[[4-(3-methylphenyl)-3-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperazin-1-yl]-N-prop-2-enyl-ethanamide

Systemtic Name: 2-[4-[[4-(3-methylphenyl)-3-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperazin-1-yl]-N-prop-2-enyl-ethanamide Openeye Name: N-allyl-2-[4-[[4-(m-tolyl)-3-phenyl-5-thioxo-1,2,4-triazol-1-yl]methyl]piperazin-1-yl]acetamide CAS Name: 2-[4-[[4-(3-methylphenyl)-3-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-1-piperazinyl]-N-prop-2-enylacetamide IUPAC Name: 2-[4-[[4-(3-methylphenyl)-3-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperazin-1-yl]-N-prop-2-enylacetamide Traditional Name: N-allyl-2-[4-[[4-(m-tolyl)-3-phenyl-5-thioxo-1,2,4-triazol-1-yl]methyl]piperazino]acetamide Formula: C25H30N6OS MolecularWeight: 462.6103

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=NN(C2=S)CN3CCN(CC3)CC(=O)NCC=C)C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=NN(C2=S)CN3CCN(CC3)CC(=O)NCC=C)C4=CC=CC=C4

InChI

InChI=1S/C25H30N6OS/c1-3-12-26-23(32)18-28-13-15-29(16-14-28)19-30-25(33)31(22-11-7-8-20(2)17-22)24(27-30)21-9-5-4-6-10-21/h3-11,17H,1,12-16,18-19H2,2H3,(H,26,32)