1-[5-azanyl-3-[(3-chlorophenyl)amino]-1,2,4-triazol-1-yl]-2-phenyl-ethanethione

Systemtic Name: 1-[5-azanyl-3-[(3-chlorophenyl)amino]-1,2,4-triazol-1-yl]-2-phenyl-ethanethione Openeye Name: 1-[5-amino-3-(3-chloroanilino)-1,2,4-triazol-1-yl]-2-phenyl-ethanethione CAS Name: 1-[5-amino-3-(3-chloroanilino)-1,2,4-triazol-1-yl]-2-phenylethanethione IUPAC Name: 1-[5-amino-3-(3-chloroanilino)-1,2,4-triazol-1-yl]-2-phenylethanethione Traditional Name: 1-[5-amino-3-(3-chloroanilino)-1,2,4-triazol-1-yl]-2-phenyl-ethanethione Formula: C16H14ClN5S MolecularWeight: 343.83386

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(=S)N2C(=NC(=N2)NC3=CC(=CC=C3)Cl)N

Isomeric SMILES

C1=CC=C(C=C1)CC(=S)N2C(=NC(=N2)NC3=CC(=CC=C3)Cl)N

InChI

InChI=1S/C16H14ClN5S/c17-12-7-4-8-13(10-12)19-16-20-15(18)22(21-16)14(23)9-11-5-2-1-3-6-11/h1-8,10H,9H2,(H3,18,19,20,21)