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

Systemtic Name: N-[2-[[4-ethyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoyl]-1-methyl-pyrrole-2-carboxamide Openeye Name: N-[2-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-1-methyl-pyrrole-2-carboxamide CAS Name: N-[2-[[4-ethyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-1-oxoethyl]-1-methyl-2-pyrrolecarboxamide IUPAC Name: N-[2-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-1-methylpyrrole-2-carboxamide Traditional Name: N-[2-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)thio]acetyl]-1-methyl-pyrrole-2-carboxamide Formula: C19H21N5O2S MolecularWeight: 383.46734

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)NC(=O)C2=CC=CN2C)CC3=CC=CC=C3

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)NC(=O)C2=CC=CN2C)CC3=CC=CC=C3

InChI

InChI=1S/C19H21N5O2S/c1-3-24-16(12-14-8-5-4-6-9-14)21-22-19(24)27-13-17(25)20-18(26)15-10-7-11-23(15)2/h4-11H,3,12-13H2,1-2H3,(H,20,25,26)