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

Systemtic Name: N-[[2-(4-butylphenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]-2-methyl-3-nitro-benzamide Openeye Name: N-[[2-(4-butylphenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]-2-methyl-3-nitro-benzamide CAS Name: N-[[[2-(4-butylphenyl)-6-methyl-5-benzotriazolyl]amino]-sulfanylidenemethyl]-2-methyl-3-nitrobenzamide IUPAC Name: N-[[2-(4-butylphenyl)-6-methylbenzotriazol-5-yl]carbamothioyl]-2-methyl-3-nitrobenzamide Traditional Name: N-[[2-(4-butylphenyl)-6-methyl-benzotriazol-5-yl]thiocarbamoyl]-2-methyl-3-nitro-benzamide Formula: C26H26N6O3S MolecularWeight: 502.58804

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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-])C)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-])C)C

InChI

InChI=1S/C26H26N6O3S/c1-4-5-7-18-10-12-19(13-11-18)31-29-22-14-16(2)21(15-23(22)30-31)27-26(36)28-25(33)20-8-6-9-24(17(20)3)32(34)35/h6,8-15H,4-5,7H2,1-3H3,(H2,27,28,33,36)