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

Systemtic Name: 4-nitro-N-[(2-phenylbenzotriazol-5-yl)carbamothioyl]benzamide Openeye Name: 4-nitro-N-[(2-phenylbenzotriazol-5-yl)carbamothioyl]benzamide CAS Name: 4-nitro-N-[[(2-phenyl-5-benzotriazolyl)amino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-nitro-N-[(2-phenylbenzotriazol-5-yl)carbamothioyl]benzamide Traditional Name: 4-nitro-N-[(2-phenylbenzotriazol-5-yl)thiocarbamoyl]benzamide Formula: C20H14N6O3S MolecularWeight: 418.42856

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H14N6O3S/c27-19(13-6-9-16(10-7-13)26(28)29)22-20(30)21-14-8-11-17-18(12-14)24-25(23-17)15-4-2-1-3-5-15/h1-12H,(H2,21,22,27,30)