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

Systemtic Name: N-[2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]-1-methyl-pyrrole-2-carboxamide Openeye Name: N-[2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-1-methyl-pyrrole-2-carboxamide CAS Name: N-[2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]-1-methyl-2-pyrrolecarboxamide IUPAC Name: N-[2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-1-methylpyrrole-2-carboxamide Traditional Name: N-[2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)thio]acetyl]-1-methyl-pyrrole-2-carboxamide Formula: C19H19N5O2S MolecularWeight: 381.45146

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C(=O)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4CC4

Isomeric SMILES

CN1C=CC=C1C(=O)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4CC4

InChI

InChI=1S/C19H19N5O2S/c1-23-11-5-8-15(23)18(26)20-16(25)12-27-19-22-21-17(13-9-10-13)24(19)14-6-3-2-4-7-14/h2-8,11,13H,9-10,12H2,1H3,(H,20,25,26)