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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)N(C)CC3=CSC=C3)C4=CC=NC=C4

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)N(C)CC3=CSC=C3)C4=CC=NC=C4

InChI

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