N-methyl-3-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-[(4-piperidin-1-ylphenyl)methyl]propanamide

Systemtic Name: N-methyl-3-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-[(4-piperidin-1-ylphenyl)methyl]propanamide Openeye Name: N-methyl-3-[3-(m-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-N-[[4-(1-piperidyl)phenyl]methyl]propanamide CAS Name: N-methyl-3-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-[[4-(1-piperidinyl)phenyl]methyl]propanamide IUPAC Name: N-methyl-3-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-[(4-piperidin-1-ylphenyl)methyl]propanamide Traditional Name: N-methyl-3-[3-(m-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-N-(4-piperidinobenzyl)propionamide Formula: C25H31N5OS MolecularWeight: 449.61154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NNC(=S)N2CCC(=O)N(C)CC3=CC=C(C=C3)N4CCCCC4

Isomeric SMILES

CC1=CC=CC(=C1)C2=NNC(=S)N2CCC(=O)N(C)CC3=CC=C(C=C3)N4CCCCC4

InChI

InChI=1S/C25H31N5OS/c1-19-7-6-8-21(17-19)24-26-27-25(32)30(24)16-13-23(31)28(2)18-20-9-11-22(12-10-20)29-14-4-3-5-15-29/h6-12,17H,3-5,13-16,18H2,1-2H3,(H,27,32)