4-nitro-N-[3-(phenylmethyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]benzamide

Systemtic Name: 4-nitro-N-[3-(phenylmethyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]benzamide Openeye Name: N-(3-benzyl-5-thioxo-1H-1,2,4-triazol-4-yl)-4-nitro-benzamide CAS Name: 4-nitro-N-[3-(phenylmethyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]benzamide IUPAC Name: N-(3-benzyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)-4-nitrobenzamide Traditional Name: N-(3-benzyl-5-thioxo-1H-1,2,4-triazol-4-yl)-4-nitro-benzamide Formula: C16H13N5O3S MolecularWeight: 355.37112

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=NNC(=S)N2NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CC2=NNC(=S)N2NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H13N5O3S/c22-15(12-6-8-13(9-7-12)21(23)24)19-20-14(17-18-16(20)25)10-11-4-2-1-3-5-11/h1-9H,10H2,(H,18,25)(H,19,22)