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

Systemtic Name: N-[2-[[5-(2-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanoyl]-1-methyl-pyrrole-2-carboxamide Openeye Name: N-[2-[[4-allyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-1-methyl-pyrrole-2-carboxamide CAS Name: N-[2-[[5-(2-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-1-oxoethyl]-1-methyl-2-pyrrolecarboxamide IUPAC Name: N-[2-[[5-(2-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]-1-methylpyrrole-2-carboxamide Traditional Name: N-[2-[[4-allyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]thio]acetyl]-1-methyl-pyrrole-2-carboxamide Formula: C20H21N5O3S MolecularWeight: 411.47744

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C(=O)NC(=O)CSC2=NN=C(N2CC=C)C3=CC=CC=C3OC

Isomeric SMILES

CN1C=CC=C1C(=O)NC(=O)CSC2=NN=C(N2CC=C)C3=CC=CC=C3OC

InChI

InChI=1S/C20H21N5O3S/c1-4-11-25-18(14-8-5-6-10-16(14)28-3)22-23-20(25)29-13-17(26)21-19(27)15-9-7-12-24(15)2/h4-10,12H,1,11,13H2,2-3H3,(H,21,26,27)