N-[(6-chloranyl-2-phenyl-benzotriazol-5-yl)carbamothioyl]-4-methoxy-3-nitro-benzamide

Systemtic Name: N-[(6-chloranyl-2-phenyl-benzotriazol-5-yl)carbamothioyl]-4-methoxy-3-nitro-benzamide Openeye Name: N-[(6-chloro-2-phenyl-benzotriazol-5-yl)carbamothioyl]-4-methoxy-3-nitro-benzamide CAS Name: N-[[(6-chloro-2-phenyl-5-benzotriazolyl)amino]-sulfanylidenemethyl]-4-methoxy-3-nitrobenzamide IUPAC Name: N-[(6-chloro-2-phenylbenzotriazol-5-yl)carbamothioyl]-4-methoxy-3-nitrobenzamide Traditional Name: N-[(6-chloro-2-phenyl-benzotriazol-5-yl)thiocarbamoyl]-4-methoxy-3-nitro-benzamide Formula: C21H15ClN6O4S MolecularWeight: 482.8996

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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=C2Cl)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC3=NN(N=C3C=C2Cl)C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H15ClN6O4S/c1-32-19-8-7-12(9-18(19)28(30)31)20(29)24-21(33)23-15-11-17-16(10-14(15)22)25-27(26-17)13-5-3-2-4-6-13/h2-11H,1H3,(H2,23,24,29,33)