N-[(4-methylphenyl)methyl]-2-[(5-propyl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-[(4-methylphenyl)methyl]-2-[(5-propyl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: 2-[(5-propyl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(p-tolylmethyl)acetamide CAS Name: N-[(4-methylphenyl)methyl]-2-[[5-propyl-4-(1-pyrrolyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-[(4-methylphenyl)methyl]-2-[(5-propyl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(4-methylbenzyl)-2-[(5-propyl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)thio]acetamide Formula: C19H23N5OS MolecularWeight: 369.48382

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN=C(N1N2C=CC=C2)SCC(=O)NCC3=CC=C(C=C3)C

Isomeric SMILES

CCCC1=NN=C(N1N2C=CC=C2)SCC(=O)NCC3=CC=C(C=C3)C

InChI

InChI=1S/C19H23N5OS/c1-3-6-17-21-22-19(24(17)23-11-4-5-12-23)26-14-18(25)20-13-16-9-7-15(2)8-10-16/h4-5,7-12H,3,6,13-14H2,1-2H3,(H,20,25)