3-nitro-4-[(5-oxidanylidene-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]benzamide

Systemtic Name: 3-nitro-4-[(5-oxidanylidene-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]benzamide Openeye Name: 3-nitro-4-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]benzamide CAS Name: 3-nitro-4-[[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)thio]methyl]benzamide IUPAC Name: 3-nitro-4-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]benzamide Traditional Name: 4-[[(5-keto-4-phenethyl-1H-1,2,4-triazol-3-yl)thio]methyl]-3-nitro-benzamide Formula: C18H17N5O4S MolecularWeight: 399.42368

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(=O)NN=C2SCC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CCN2C(=O)NN=C2SCC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C18H17N5O4S/c19-16(24)13-6-7-14(15(10-13)23(26)27)11-28-18-21-20-17(25)22(18)9-8-12-4-2-1-3-5-12/h1-7,10H,8-9,11H2,(H2,19,24)(H,20,25)