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

Systemtic Name: 2-[(4-azanyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-nitrophenyl)ethanamide Openeye Name: 2-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-nitrophenyl)acetamide CAS Name: 2-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)thio]-N-(4-nitrophenyl)acetamide IUPAC Name: 2-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-nitrophenyl)acetamide Traditional Name: 2-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)thio]-N-(4-nitrophenyl)acetamide Formula: C16H14N6O3S MolecularWeight: 370.38576

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN=C(N2N)SCC(=O)NC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=NN=C(N2N)SCC(=O)NC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H14N6O3S/c17-21-15(11-4-2-1-3-5-11)19-20-16(21)26-10-14(23)18-12-6-8-13(9-7-12)22(24)25/h1-9H,10,17H2,(H,18,23)