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

Systemtic Name: N-(4-methoxyphenyl)-2-[[4-(phenylmethyl)-5-quinolin-2-yl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[4-benzyl-5-(2-quinolyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methoxyphenyl)acetamide CAS Name: N-(4-methoxyphenyl)-2-[[4-(phenylmethyl)-5-(2-quinolinyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: 2-[(4-benzyl-5-quinolin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methoxyphenyl)acetamide Traditional Name: 2-[[4-benzyl-5-(2-quinolyl)-1,2,4-triazol-3-yl]thio]-N-(4-methoxyphenyl)acetamide Formula: C27H23N5O2S MolecularWeight: 481.56882

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2CC3=CC=CC=C3)C4=NC5=CC=CC=C5C=C4

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2CC3=CC=CC=C3)C4=NC5=CC=CC=C5C=C4

InChI

InChI=1S/C27H23N5O2S/c1-34-22-14-12-21(13-15-22)28-25(33)18-35-27-31-30-26(32(27)17-19-7-3-2-4-8-19)24-16-11-20-9-5-6-10-23(20)29-24/h2-16H,17-18H2,1H3,(H,28,33)