N-[(2-naphthalen-1-ylbenzotriazol-5-yl)carbamothioyl]-3,5-dinitro-benzamide

Systemtic Name: N-[(2-naphthalen-1-ylbenzotriazol-5-yl)carbamothioyl]-3,5-dinitro-benzamide Openeye Name: N-[[2-(1-naphthyl)benzotriazol-5-yl]carbamothioyl]-3,5-dinitro-benzamide CAS Name: N-[[[2-(1-naphthalenyl)-5-benzotriazolyl]amino]-sulfanylidenemethyl]-3,5-dinitrobenzamide IUPAC Name: N-[(2-naphthalen-1-ylbenzotriazol-5-yl)carbamothioyl]-3,5-dinitrobenzamide Traditional Name: N-[[2-(1-naphthyl)benzotriazol-5-yl]thiocarbamoyl]-3,5-dinitro-benzamide Formula: C24H15N7O5S MolecularWeight: 513.4848

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2N3N=C4C=CC(=CC4=N3)NC(=S)NC(=O)C5=CC(=CC(=C5)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2N3N=C4C=CC(=CC4=N3)NC(=S)NC(=O)C5=CC(=CC(=C5)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C24H15N7O5S/c32-23(15-10-17(30(33)34)13-18(11-15)31(35)36)26-24(37)25-16-8-9-20-21(12-16)28-29(27-20)22-7-3-5-14-4-1-2-6-19(14)22/h1-13H,(H2,25,26,32,37)