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

Systemtic Name: N-[(6-chloranyl-2-phenyl-benzotriazol-5-yl)carbamothioyl]-3-nitro-benzamide Openeye Name: N-[(6-chloro-2-phenyl-benzotriazol-5-yl)carbamothioyl]-3-nitro-benzamide CAS Name: N-[[(6-chloro-2-phenyl-5-benzotriazolyl)amino]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: N-[(6-chloro-2-phenylbenzotriazol-5-yl)carbamothioyl]-3-nitrobenzamide Traditional Name: N-[(6-chloro-2-phenyl-benzotriazol-5-yl)thiocarbamoyl]-3-nitro-benzamide Formula: C20H13ClN6O3S MolecularWeight: 452.87362

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2N=C3C=C(C(=CC3=N2)Cl)NC(=S)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)N2N=C3C=C(C(=CC3=N2)Cl)NC(=S)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H13ClN6O3S/c21-15-10-17-18(25-26(24-17)13-6-2-1-3-7-13)11-16(15)22-20(31)23-19(28)12-5-4-8-14(9-12)27(29)30/h1-11H,(H2,22,23,28,31)