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

Systemtic Name: 2-[[4-(4-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methyl-3-pyrrol-1-yl-phenyl)ethanamide Openeye Name: 2-[[4-(4-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methyl-3-pyrrol-1-yl-phenyl)acetamide CAS Name: 2-[[4-(4-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]-N-[2-methyl-3-(1-pyrrolyl)phenyl]acetamide IUPAC Name: 2-[[4-(4-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methyl-3-pyrrol-1-ylphenyl)acetamide Traditional Name: 2-[[4-(4-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]-N-(2-methyl-3-pyrrol-1-yl-phenyl)acetamide Formula: C28H25N5O2S MolecularWeight: 495.5954

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)OC)C4=CC=CC=C4)N5C=CC=C5

Isomeric SMILES

CC1=C(C=CC=C1NC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)OC)C4=CC=CC=C4)N5C=CC=C5

InChI

InChI=1S/C28H25N5O2S/c1-20-24(11-8-12-25(20)32-17-6-7-18-32)29-26(34)19-36-28-31-30-27(21-9-4-3-5-10-21)33(28)22-13-15-23(35-2)16-14-22/h3-18H,19H2,1-2H3,(H,29,34)