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

Systemtic Name: 2-[(5-ethyl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[(4-methylphenyl)methyl]ethanamide Openeye Name: 2-[(5-ethyl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(p-tolylmethyl)acetamide CAS Name: 2-[[5-ethyl-4-(1-pyrrolyl)-1,2,4-triazol-3-yl]thio]-N-[(4-methylphenyl)methyl]acetamide IUPAC Name: 2-[(5-ethyl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[(4-methylphenyl)methyl]acetamide Traditional Name: 2-[(5-ethyl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)thio]-N-(4-methylbenzyl)acetamide Formula: C18H21N5OS MolecularWeight: 355.45724

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(N1N2C=CC=C2)SCC(=O)NCC3=CC=C(C=C3)C

Isomeric SMILES

CCC1=NN=C(N1N2C=CC=C2)SCC(=O)NCC3=CC=C(C=C3)C

InChI

InChI=1S/C18H21N5OS/c1-3-16-20-21-18(23(16)22-10-4-5-11-22)25-13-17(24)19-12-15-8-6-14(2)7-9-15/h4-11H,3,12-13H2,1-2H3,(H,19,24)