N-[[2-(4-butylphenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]-2-chloranyl-5-nitro-benzamide

Systemtic Name: N-[[2-(4-butylphenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]-2-chloranyl-5-nitro-benzamide Openeye Name: N-[[2-(4-butylphenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]-2-chloro-5-nitro-benzamide CAS Name: N-[[[2-(4-butylphenyl)-6-methyl-5-benzotriazolyl]amino]-sulfanylidenemethyl]-2-chloro-5-nitrobenzamide IUPAC Name: N-[[2-(4-butylphenyl)-6-methylbenzotriazol-5-yl]carbamothioyl]-2-chloro-5-nitrobenzamide Traditional Name: N-[[2-(4-butylphenyl)-6-methyl-benzotriazol-5-yl]thiocarbamoyl]-2-chloro-5-nitro-benzamide Formula: C25H23ClN6O3S MolecularWeight: 523.00652

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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=C(C=CC(=C4)[N+](=O)[O-])Cl)C

Isomeric SMILES

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

InChI

InChI=1S/C25H23ClN6O3S/c1-3-4-5-16-6-8-17(9-7-16)31-29-22-12-15(2)21(14-23(22)30-31)27-25(36)28-24(33)19-13-18(32(34)35)10-11-20(19)26/h6-14H,3-5H2,1-2H3,(H2,27,28,33,36)