4-methoxy-3-nitro-N-[(2-phenylbenzotriazol-5-yl)carbamothioyl]benzamide

Systemtic Name: 4-methoxy-3-nitro-N-[(2-phenylbenzotriazol-5-yl)carbamothioyl]benzamide Openeye Name: 4-methoxy-3-nitro-N-[(2-phenylbenzotriazol-5-yl)carbamothioyl]benzamide CAS Name: 4-methoxy-3-nitro-N-[[(2-phenyl-5-benzotriazolyl)amino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-methoxy-3-nitro-N-[(2-phenylbenzotriazol-5-yl)carbamothioyl]benzamide Traditional Name: 4-methoxy-3-nitro-N-[(2-phenylbenzotriazol-5-yl)thiocarbamoyl]benzamide Formula: C21H16N6O4S MolecularWeight: 448.45454

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC3=NN(N=C3C=C2)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC3=NN(N=C3C=C2)C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H16N6O4S/c1-31-19-10-7-13(11-18(19)27(29)30)20(28)23-21(32)22-14-8-9-16-17(12-14)25-26(24-16)15-5-3-2-4-6-15/h2-12H,1H3,(H2,22,23,28,32)