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

Systemtic Name: N-butan-2-yl-4-[[4-(4-methoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]benzamide Openeye Name: 4-[[4-(4-methoxyphenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-N-sec-butyl-benzamide CAS Name: N-butan-2-yl-4-[[[4-(4-methoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]methyl]benzamide IUPAC Name: N-butan-2-yl-4-[[4-(4-methoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]benzamide Traditional Name: 4-[[[4-(4-methoxyphenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]-N-sec-butyl-benzamide Formula: C26H27N5O2S MolecularWeight: 473.58988

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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)OC)C4=CC=NC=C4

Isomeric SMILES

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

InChI

InChI=1S/C26H27N5O2S/c1-4-18(2)28-25(32)21-7-5-19(6-8-21)17-34-26-30-29-24(20-13-15-27-16-14-20)31(26)22-9-11-23(33-3)12-10-22/h5-16,18H,4,17H2,1-3H3,(H,28,32)