2-methyl-3-nitro-N-[(2-phenylbenzotriazol-5-yl)carbamothioyl]benzamide

Systemtic Name: 2-methyl-3-nitro-N-[(2-phenylbenzotriazol-5-yl)carbamothioyl]benzamide Openeye Name: 2-methyl-3-nitro-N-[(2-phenylbenzotriazol-5-yl)carbamothioyl]benzamide CAS Name: 2-methyl-3-nitro-N-[[(2-phenyl-5-benzotriazolyl)amino]-sulfanylidenemethyl]benzamide IUPAC Name: 2-methyl-3-nitro-N-[(2-phenylbenzotriazol-5-yl)carbamothioyl]benzamide Traditional Name: 2-methyl-3-nitro-N-[(2-phenylbenzotriazol-5-yl)thiocarbamoyl]benzamide Formula: C21H16N6O3S MolecularWeight: 432.45514

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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=CC=C4

Isomeric SMILES

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

InChI

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