(E)-3-(3-nitrophenyl)-N-[(2-phenylbenzotriazol-5-yl)carbamothioyl]prop-2-enamide

Systemtic Name: (E)-3-(3-nitrophenyl)-N-[(2-phenylbenzotriazol-5-yl)carbamothioyl]prop-2-enamide Openeye Name: (E)-3-(3-nitrophenyl)-N-[(2-phenylbenzotriazol-5-yl)carbamothioyl]prop-2-enamide CAS Name: (E)-3-(3-nitrophenyl)-N-[[(2-phenyl-5-benzotriazolyl)amino]-sulfanylidenemethyl]-2-propenamide IUPAC Name: (E)-3-(3-nitrophenyl)-N-[(2-phenylbenzotriazol-5-yl)carbamothioyl]prop-2-enamide Traditional Name: (E)-3-(3-nitrophenyl)-N-[(2-phenylbenzotriazol-5-yl)thiocarbamoyl]acrylamide Formula: C22H16N6O3S MolecularWeight: 444.46584

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2N=C3C=CC(=CC3=N2)NC(=S)NC(=O)C=CC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C22H16N6O3S/c29-21(12-9-15-5-4-8-18(13-15)28(30)31)24-22(32)23-16-10-11-19-20(14-16)26-27(25-19)17-6-2-1-3-7-17/h1-14H,(H2,23,24,29,32)/b12-9+