2-[[5-(4-methoxyphenyl)-4-pyrrol-1-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-ethanamide

Systemtic Name: 2-[[5-(4-methoxyphenyl)-4-pyrrol-1-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-ethanamide Openeye Name: 2-[[5-(4-methoxyphenyl)-4-pyrrol-1-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-acetamide CAS Name: 2-[[5-(4-methoxyphenyl)-4-(1-pyrrolyl)-1,2,4-triazol-3-yl]thio]-N-phenylacetamide IUPAC Name: 2-[[5-(4-methoxyphenyl)-4-pyrrol-1-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide Traditional Name: 2-[[5-(4-methoxyphenyl)-4-pyrrol-1-yl-1,2,4-triazol-3-yl]thio]-N-phenyl-acetamide Formula: C21H19N5O2S MolecularWeight: 405.47286

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN=C(N2N3C=CC=C3)SCC(=O)NC4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN=C(N2N3C=CC=C3)SCC(=O)NC4=CC=CC=C4

InChI

InChI=1S/C21H19N5O2S/c1-28-18-11-9-16(10-12-18)20-23-24-21(26(20)25-13-5-6-14-25)29-15-19(27)22-17-7-3-2-4-8-17/h2-14H,15H2,1H3,(H,22,27)