N-butan-2-yl-2-[[4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(phenylmethyl)ethanamide

Systemtic Name: N-butan-2-yl-2-[[4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[[4-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]-N-sec-butyl-acetamide CAS Name: N-butan-2-yl-2-[[4-(4-methylphenyl)-1,2,4-triazol-3-yl]thio]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-N-butan-2-yl-2-[[4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-benzyl-2-[[4-(p-tolyl)-1,2,4-triazol-3-yl]thio]-N-sec-butyl-acetamide Formula: C22H26N4OS MolecularWeight: 394.53304

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N(CC1=CC=CC=C1)C(=O)CSC2=NN=CN2C3=CC=C(C=C3)C

Isomeric SMILES

CCC(C)N(CC1=CC=CC=C1)C(=O)CSC2=NN=CN2C3=CC=C(C=C3)C

InChI

InChI=1S/C22H26N4OS/c1-4-18(3)25(14-19-8-6-5-7-9-19)21(27)15-28-22-24-23-16-26(22)20-12-10-17(2)11-13-20/h5-13,16,18H,4,14-15H2,1-3H3