N-[2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]-1-methyl-pyrrole-2-carboxamide

Systemtic Name: N-[2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]-1-methyl-pyrrole-2-carboxamide Openeye Name: N-[2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-1-methyl-pyrrole-2-carboxamide CAS Name: N-[2-[(4,5-diphenyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]-1-methyl-2-pyrrolecarboxamide IUPAC Name: N-[2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-1-methylpyrrole-2-carboxamide Traditional Name: N-[2-[(4,5-diphenyl-1,2,4-triazol-3-yl)thio]acetyl]-1-methyl-pyrrole-2-carboxamide Formula: C22H19N5O2S MolecularWeight: 417.48356

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C(=O)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CN1C=CC=C1C(=O)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C22H19N5O2S/c1-26-14-8-13-18(26)21(29)23-19(28)15-30-22-25-24-20(16-9-4-2-5-10-16)27(22)17-11-6-3-7-12-17/h2-14H,15H2,1H3,(H,23,28,29)