N-[2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]-3-nitro-benzamide

Systemtic Name: N-[2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]-3-nitro-benzamide Openeye Name: N-[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]-3-nitro-benzamide CAS Name: N-[2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-1-oxoethyl]-3-nitrobenzamide IUPAC Name: N-[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]-3-nitrobenzamide Traditional Name: N-[2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]acetyl]-3-nitro-benzamide Formula: C11H10N6O4S MolecularWeight: 322.2999

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NC(=O)CSC2=NNC(=N2)N

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NC(=O)CSC2=NNC(=N2)N

InChI

InChI=1S/C11H10N6O4S/c12-10-14-11(16-15-10)22-5-8(18)13-9(19)6-2-1-3-7(4-6)17(20)21/h1-4H,5H2,(H,13,18,19)(H3,12,14,15,16)