N-(2-butan-2-ylphenyl)-2-[[4-(2-methylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide

Systemtic Name: N-(2-butan-2-ylphenyl)-2-[[4-(2-methylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: 2-[[4-(o-tolyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-sec-butylphenyl)propanamide CAS Name: N-(2-butan-2-ylphenyl)-2-[[4-(2-methylphenyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: N-(2-butan-2-ylphenyl)-2-[[4-(2-methylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide Traditional Name: 2-[[4-(o-tolyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]-N-(2-sec-butylphenyl)propionamide Formula: C27H29N5OS MolecularWeight: 471.61706

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=CC=C1NC(=O)C(C)SC2=NN=C(N2C3=CC=CC=C3C)C4=CN=CC=C4

Isomeric SMILES

CCC(C)C1=CC=CC=C1NC(=O)C(C)SC2=NN=C(N2C3=CC=CC=C3C)C4=CN=CC=C4

InChI

InChI=1S/C27H29N5OS/c1-5-18(2)22-13-7-8-14-23(22)29-26(33)20(4)34-27-31-30-25(21-12-10-16-28-17-21)32(27)24-15-9-6-11-19(24)3/h6-18,20H,5H2,1-4H3,(H,29,33)