N-butan-2-yl-4-[[4-(4-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]benzamide

Systemtic Name: N-butan-2-yl-4-[[4-(4-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]benzamide Openeye Name: 4-[[4-(p-tolyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-N-sec-butyl-benzamide CAS Name: N-butan-2-yl-4-[[[4-(4-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]methyl]benzamide IUPAC Name: N-butan-2-yl-4-[[4-(4-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]benzamide Traditional Name: 4-[[[4-(p-tolyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]-N-sec-butyl-benzamide Formula: C26H27N5OS MolecularWeight: 457.59048

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C1=CC=C(C=C1)CSC2=NN=C(N2C3=CC=C(C=C3)C)C4=CC=NC=C4

Isomeric SMILES

CCC(C)NC(=O)C1=CC=C(C=C1)CSC2=NN=C(N2C3=CC=C(C=C3)C)C4=CC=NC=C4

InChI

InChI=1S/C26H27N5OS/c1-4-19(3)28-25(32)22-9-7-20(8-10-22)17-33-26-30-29-24(21-13-15-27-16-14-21)31(26)23-11-5-18(2)6-12-23/h5-16,19H,4,17H2,1-3H3,(H,28,32)