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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)CSC2=NN=C(N2N3C=CC=C3)C4=CC=C(C=C4)OC

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)CSC2=NN=C(N2N3C=CC=C3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C22H21N5O2S/c1-16-6-5-7-18(14-16)23-20(28)15-30-22-25-24-21(27(22)26-12-3-4-13-26)17-8-10-19(29-2)11-9-17/h3-14H,15H2,1-2H3,(H,23,28)