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

Systemtic Name: 4-ethoxy-3-nitro-N-[(2-phenylbenzotriazol-5-yl)carbamothioyl]benzamide Openeye Name: 4-ethoxy-3-nitro-N-[(2-phenylbenzotriazol-5-yl)carbamothioyl]benzamide CAS Name: 4-ethoxy-3-nitro-N-[[(2-phenyl-5-benzotriazolyl)amino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-ethoxy-3-nitro-N-[(2-phenylbenzotriazol-5-yl)carbamothioyl]benzamide Traditional Name: 4-ethoxy-3-nitro-N-[(2-phenylbenzotriazol-5-yl)thiocarbamoyl]benzamide Formula: C22H18N6O4S MolecularWeight: 462.48112

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC3=NN(N=C3C=C2)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC3=NN(N=C3C=C2)C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H18N6O4S/c1-2-32-20-11-8-14(12-19(20)28(30)31)21(29)24-22(33)23-15-9-10-17-18(13-15)26-27(25-17)16-6-4-3-5-7-16/h3-13H,2H2,1H3,(H2,23,24,29,33)