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

Systemtic Name: N-[[2-(4-tert-butylphenyl)benzotriazol-5-yl]carbamothioyl]-2-methyl-3-nitro-benzamide Openeye Name: N-[[2-(4-tert-butylphenyl)benzotriazol-5-yl]carbamothioyl]-2-methyl-3-nitro-benzamide CAS Name: N-[[[2-(4-tert-butylphenyl)-5-benzotriazolyl]amino]-sulfanylidenemethyl]-2-methyl-3-nitrobenzamide IUPAC Name: N-[[2-(4-tert-butylphenyl)benzotriazol-5-yl]carbamothioyl]-2-methyl-3-nitrobenzamide Traditional Name: N-[[2-(4-tert-butylphenyl)benzotriazol-5-yl]thiocarbamoyl]-2-methyl-3-nitro-benzamide Formula: C25H24N6O3S MolecularWeight: 488.56146

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC(=S)NC2=CC3=NN(N=C3C=C2)C4=CC=C(C=C4)C(C)(C)C

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC(=S)NC2=CC3=NN(N=C3C=C2)C4=CC=C(C=C4)C(C)(C)C

InChI

InChI=1S/C25H24N6O3S/c1-15-19(6-5-7-22(15)31(33)34)23(32)27-24(35)26-17-10-13-20-21(14-17)29-30(28-20)18-11-8-16(9-12-18)25(2,3)4/h5-14H,1-4H3,(H2,26,27,32,35)