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

Systemtic Name: 2-[[4-methyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1-phenylethyl)ethanamide Openeye Name: 2-[[4-methyl-5-(2-thienylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1-phenylethyl)acetamide CAS Name: 2-[[4-methyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]thio]-N-(1-phenylethyl)acetamide IUPAC Name: 2-[[4-methyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1-phenylethyl)acetamide Traditional Name: 2-[[4-methyl-5-(2-thenyl)-1,2,4-triazol-3-yl]thio]-N-(1-phenylethyl)acetamide Formula: C18H20N4OS2 MolecularWeight: 372.5076

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)CSC2=NN=C(N2C)CC3=CC=CS3

Isomeric SMILES

CC(C1=CC=CC=C1)NC(=O)CSC2=NN=C(N2C)CC3=CC=CS3

InChI

InChI=1S/C18H20N4OS2/c1-13(14-7-4-3-5-8-14)19-17(23)12-25-18-21-20-16(22(18)2)11-15-9-6-10-24-15/h3-10,13H,11-12H2,1-2H3,(H,19,23)