N-ethyl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-N-phenyl-benzamide

Systemtic Name: N-ethyl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-N-phenyl-benzamide Openeye Name: N-ethyl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-N-phenyl-benzamide CAS Name: N-ethyl-4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitro-N-phenylbenzamide IUPAC Name: N-ethyl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-N-phenylbenzamide Traditional Name: N-ethyl-4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitro-N-phenyl-benzamide Formula: C18H17N5O3S MolecularWeight: 383.42428

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC=C1)C(=O)C2=CC(=C(C=C2)SC3=NN=CN3C)[N+](=O)[O-]

Isomeric SMILES

CCN(C1=CC=CC=C1)C(=O)C2=CC(=C(C=C2)SC3=NN=CN3C)[N+](=O)[O-]

InChI

InChI=1S/C18H17N5O3S/c1-3-22(14-7-5-4-6-8-14)17(24)13-9-10-16(15(11-13)23(25)26)27-18-20-19-12-21(18)2/h4-12H,3H2,1-2H3