2-chloranyl-N-[(2-naphthalen-1-ylbenzotriazol-5-yl)carbamothioyl]-5-nitro-benzamide

Systemtic Name: 2-chloranyl-N-[(2-naphthalen-1-ylbenzotriazol-5-yl)carbamothioyl]-5-nitro-benzamide Openeye Name: 2-chloro-N-[[2-(1-naphthyl)benzotriazol-5-yl]carbamothioyl]-5-nitro-benzamide CAS Name: 2-chloro-N-[[[2-(1-naphthalenyl)-5-benzotriazolyl]amino]-sulfanylidenemethyl]-5-nitrobenzamide IUPAC Name: 2-chloro-N-[(2-naphthalen-1-ylbenzotriazol-5-yl)carbamothioyl]-5-nitrobenzamide Traditional Name: 2-chloro-N-[[2-(1-naphthyl)benzotriazol-5-yl]thiocarbamoyl]-5-nitro-benzamide Formula: C24H15ClN6O3S MolecularWeight: 502.9323

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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=C(C=CC(=C5)[N+](=O)[O-])Cl

Isomeric SMILES

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

InChI

InChI=1S/C24H15ClN6O3S/c25-19-10-9-16(31(33)34)13-18(19)23(32)27-24(35)26-15-8-11-20-21(12-15)29-30(28-20)22-7-3-5-14-4-1-2-6-17(14)22/h1-13H,(H2,26,27,32,35)