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

Systemtic Name: N-[[2-(4-butylphenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]-4-methyl-3-nitro-benzamide Openeye Name: N-[[2-(4-butylphenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]-4-methyl-3-nitro-benzamide CAS Name: N-[[[2-(4-butylphenyl)-6-methyl-5-benzotriazolyl]amino]-sulfanylidenemethyl]-4-methyl-3-nitrobenzamide IUPAC Name: N-[[2-(4-butylphenyl)-6-methylbenzotriazol-5-yl]carbamothioyl]-4-methyl-3-nitrobenzamide Traditional Name: N-[[2-(4-butylphenyl)-6-methyl-benzotriazol-5-yl]thiocarbamoyl]-4-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=CC(=C(C=C4)C)[N+](=O)[O-])C

Isomeric SMILES

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

InChI

InChI=1S/C26H26N6O3S/c1-4-5-6-18-8-11-20(12-9-18)31-29-22-13-17(3)21(15-23(22)30-31)27-26(36)28-25(33)19-10-7-16(2)24(14-19)32(34)35/h7-15H,4-6H2,1-3H3,(H2,27,28,33,36)