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

Systemtic Name: N-[(6-methyl-2-phenyl-benzotriazol-5-yl)carbamothioyl]-4-nitro-benzamide Openeye Name: N-[(6-methyl-2-phenyl-benzotriazol-5-yl)carbamothioyl]-4-nitro-benzamide CAS Name: N-[[(6-methyl-2-phenyl-5-benzotriazolyl)amino]-sulfanylidenemethyl]-4-nitrobenzamide IUPAC Name: N-[(6-methyl-2-phenylbenzotriazol-5-yl)carbamothioyl]-4-nitrobenzamide Traditional Name: N-[(6-methyl-2-phenyl-benzotriazol-5-yl)thiocarbamoyl]-4-nitro-benzamide Formula: C21H16N6O3S MolecularWeight: 432.45514

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NN(N=C2C=C1NC(=S)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

CC1=CC2=NN(N=C2C=C1NC(=S)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C21H16N6O3S/c1-13-11-18-19(25-26(24-18)15-5-3-2-4-6-15)12-17(13)22-21(31)23-20(28)14-7-9-16(10-8-14)27(29)30/h2-12H,1H3,(H2,22,23,28,31)