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

Systemtic Name: 1-methyl-N-[2-[[4-phenyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoyl]pyrrole-2-carboxamide Openeye Name: N-[2-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-1-methyl-pyrrole-2-carboxamide CAS Name: 1-methyl-N-[1-oxo-2-[[4-phenyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]ethyl]-2-pyrrolecarboxamide IUPAC Name: N-[2-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-1-methylpyrrole-2-carboxamide Traditional Name: N-[2-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)thio]acetyl]-1-methyl-pyrrole-2-carboxamide Formula: C23H21N5O2S MolecularWeight: 431.51014

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C(=O)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CN1C=CC=C1C(=O)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C23H21N5O2S/c1-27-14-8-13-19(27)22(30)24-21(29)16-31-23-26-25-20(15-17-9-4-2-5-10-17)28(23)18-11-6-3-7-12-18/h2-14H,15-16H2,1H3,(H,24,29,30)