N-[[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]carbamothioyl]-3-nitro-benzamide

Systemtic Name: N-[[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]carbamothioyl]-3-nitro-benzamide Openeye Name: 3-nitro-N-[[5-(p-tolyl)-1,3,4-thiadiazol-2-yl]carbamothioyl]benzamide CAS Name: N-[[[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]amino]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: N-[[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]carbamothioyl]-3-nitrobenzamide Traditional Name: 3-nitro-N-[[5-(p-tolyl)-1,3,4-thiadiazol-2-yl]thiocarbamoyl]benzamide Formula: C17H13N5O3S2 MolecularWeight: 399.44682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(S2)NC(=S)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(S2)NC(=S)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H13N5O3S2/c1-10-5-7-11(8-6-10)15-20-21-17(27-15)19-16(26)18-14(23)12-3-2-4-13(9-12)22(24)25/h2-9H,1H3,(H2,18,19,21,23,26)