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

Systemtic Name: N-[[2-(4-butylphenyl)benzotriazol-5-yl]carbamothioyl]-4-nitro-benzamide Openeye Name: N-[[2-(4-butylphenyl)benzotriazol-5-yl]carbamothioyl]-4-nitro-benzamide CAS Name: N-[[[2-(4-butylphenyl)-5-benzotriazolyl]amino]-sulfanylidenemethyl]-4-nitrobenzamide IUPAC Name: N-[[2-(4-butylphenyl)benzotriazol-5-yl]carbamothioyl]-4-nitrobenzamide Traditional Name: N-[[2-(4-butylphenyl)benzotriazol-5-yl]thiocarbamoyl]-4-nitro-benzamide Formula: C24H22N6O3S MolecularWeight: 474.53488

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N2N=C3C=CC(=CC3=N2)NC(=S)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2N=C3C=CC(=CC3=N2)NC(=S)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C24H22N6O3S/c1-2-3-4-16-5-10-19(11-6-16)29-27-21-14-9-18(15-22(21)28-29)25-24(34)26-23(31)17-7-12-20(13-8-17)30(32)33/h5-15H,2-4H2,1H3,(H2,25,26,31,34)