N-[[2-(4-butylphenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]-3,5-dinitro-benzamide

Systemtic Name: N-[[2-(4-butylphenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]-3,5-dinitro-benzamide Openeye Name: N-[[2-(4-butylphenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]-3,5-dinitro-benzamide CAS Name: N-[[[2-(4-butylphenyl)-6-methyl-5-benzotriazolyl]amino]-sulfanylidenemethyl]-3,5-dinitrobenzamide IUPAC Name: N-[[2-(4-butylphenyl)-6-methylbenzotriazol-5-yl]carbamothioyl]-3,5-dinitrobenzamide Traditional Name: N-[[2-(4-butylphenyl)-6-methyl-benzotriazol-5-yl]thiocarbamoyl]-3,5-dinitro-benzamide Formula: C25H23N7O5S MolecularWeight: 533.55902

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H23N7O5S/c1-3-4-5-16-6-8-18(9-7-16)30-28-22-10-15(2)21(14-23(22)29-30)26-25(38)27-24(33)17-11-19(31(34)35)13-20(12-17)32(36)37/h6-14H,3-5H2,1-2H3,(H2,26,27,33,38)