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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2N)C3=CC(=CC=C3)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2N)C3=CC(=CC=C3)C

InChI

InChI=1S/C21H25N5OS/c1-3-4-7-16-9-11-18(12-10-16)23-19(27)14-28-21-25-24-20(26(21)22)17-8-5-6-15(2)13-17/h5-6,8-13H,3-4,7,14,22H2,1-2H3,(H,23,27)