N-methyl-2-[[4-(2-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(thiophen-2-ylmethyl)ethanamide

Systemtic Name: N-methyl-2-[[4-(2-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(thiophen-2-ylmethyl)ethanamide Openeye Name: N-methyl-2-[[4-(o-tolyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-thienylmethyl)acetamide CAS Name: N-methyl-2-[[4-(2-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]-N-(thiophen-2-ylmethyl)acetamide IUPAC Name: N-methyl-2-[[4-(2-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(thiophen-2-ylmethyl)acetamide Traditional Name: N-methyl-2-[[4-(o-tolyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-N-(2-thenyl)acetamide Formula: C22H21N5OS2 MolecularWeight: 435.56504

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=NN=C2SCC(=O)N(C)CC3=CC=CS3)C4=CC=NC=C4

Isomeric SMILES

CC1=CC=CC=C1N2C(=NN=C2SCC(=O)N(C)CC3=CC=CS3)C4=CC=NC=C4

InChI

InChI=1S/C22H21N5OS2/c1-16-6-3-4-8-19(16)27-21(17-9-11-23-12-10-17)24-25-22(27)30-15-20(28)26(2)14-18-7-5-13-29-18/h3-13H,14-15H2,1-2H3