N-(4-methylphenyl)-2-[[5-(phenylmethyl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-(4-methylphenyl)-2-[[5-(phenylmethyl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[(5-benzyl-4-isopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(p-tolyl)acetamide CAS Name: N-(4-methylphenyl)-2-[[5-(phenylmethyl)-4-propan-2-yl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: 2-[(5-benzyl-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methylphenyl)acetamide Traditional Name: 2-[(5-benzyl-4-isopropyl-1,2,4-triazol-3-yl)thio]-N-(p-tolyl)acetamide Formula: C21H24N4OS MolecularWeight: 380.50646

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C(C)C)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C(C)C)CC3=CC=CC=C3

InChI

InChI=1S/C21H24N4OS/c1-15(2)25-19(13-17-7-5-4-6-8-17)23-24-21(25)27-14-20(26)22-18-11-9-16(3)10-12-18/h4-12,15H,13-14H2,1-3H3,(H,22,26)