2-[[4-azanyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methyl-1-phenyl-propyl)ethanamide

Systemtic Name: 2-[[4-azanyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methyl-1-phenyl-propyl)ethanamide Openeye Name: 2-[[4-amino-5-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methyl-1-phenyl-propyl)acetamide CAS Name: 2-[[4-amino-5-(4-methylphenyl)-1,2,4-triazol-3-yl]thio]-N-(2-methyl-1-phenylpropyl)acetamide IUPAC Name: 2-[[4-amino-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methyl-1-phenylpropyl)acetamide Traditional Name: 2-[[4-amino-5-(p-tolyl)-1,2,4-triazol-3-yl]thio]-N-(2-methyl-1-phenyl-propyl)acetamide Formula: C21H25N5OS MolecularWeight: 395.5211

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(N2N)SCC(=O)NC(C3=CC=CC=C3)C(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(N2N)SCC(=O)NC(C3=CC=CC=C3)C(C)C

InChI

InChI=1S/C21H25N5OS/c1-14(2)19(16-7-5-4-6-8-16)23-18(27)13-28-21-25-24-20(26(21)22)17-11-9-15(3)10-12-17/h4-12,14,19H,13,22H2,1-3H3,(H,23,27)