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

Systemtic Name: 1-methyl-N-[2-[[4-(phenylmethyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]ethanoyl]pyrrole-2-carboxamide Openeye Name: N-[2-[[4-benzyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-1-methyl-pyrrole-2-carboxamide CAS Name: 1-methyl-N-[1-oxo-2-[[4-(phenylmethyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]ethyl]-2-pyrrolecarboxamide IUPAC Name: N-[2-[(4-benzyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-1-methylpyrrole-2-carboxamide Traditional Name: N-[2-[[4-benzyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]acetyl]-1-methyl-pyrrole-2-carboxamide Formula: C22H20N6O2S MolecularWeight: 432.4982

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C(=O)NC(=O)CSC2=NN=C(N2CC3=CC=CC=C3)C4=CN=CC=C4

Isomeric SMILES

CN1C=CC=C1C(=O)NC(=O)CSC2=NN=C(N2CC3=CC=CC=C3)C4=CN=CC=C4

InChI

InChI=1S/C22H20N6O2S/c1-27-12-6-10-18(27)21(30)24-19(29)15-31-22-26-25-20(17-9-5-11-23-13-17)28(22)14-16-7-3-2-4-8-16/h2-13H,14-15H2,1H3,(H,24,29,30)