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

Systemtic Name: 2-[[5-(2-methoxyphenyl)-4-pyrrol-1-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[[5-(2-methoxyphenyl)-4-pyrrol-1-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: 2-[[5-(2-methoxyphenyl)-4-(1-pyrrolyl)-1,2,4-triazol-3-yl]thio]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[[5-(2-methoxyphenyl)-4-pyrrol-1-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-benzyl-2-[[5-(2-methoxyphenyl)-4-pyrrol-1-yl-1,2,4-triazol-3-yl]thio]acetamide Formula: C22H21N5O2S MolecularWeight: 419.49944

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=NN=C(N2N3C=CC=C3)SCC(=O)NCC4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC=C1C2=NN=C(N2N3C=CC=C3)SCC(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C22H21N5O2S/c1-29-19-12-6-5-11-18(19)21-24-25-22(27(21)26-13-7-8-14-26)30-16-20(28)23-15-17-9-3-2-4-10-17/h2-14H,15-16H2,1H3,(H,23,28)