(E)-N-[(6-methyl-2-phenyl-benzotriazol-5-yl)carbamothioyl]-3-(3-nitrophenyl)prop-2-enamide

Systemtic Name: (E)-N-[(6-methyl-2-phenyl-benzotriazol-5-yl)carbamothioyl]-3-(3-nitrophenyl)prop-2-enamide Openeye Name: (E)-N-[(6-methyl-2-phenyl-benzotriazol-5-yl)carbamothioyl]-3-(3-nitrophenyl)prop-2-enamide CAS Name: (E)-N-[[(6-methyl-2-phenyl-5-benzotriazolyl)amino]-sulfanylidenemethyl]-3-(3-nitrophenyl)-2-propenamide IUPAC Name: (E)-N-[(6-methyl-2-phenylbenzotriazol-5-yl)carbamothioyl]-3-(3-nitrophenyl)prop-2-enamide Traditional Name: (E)-N-[(6-methyl-2-phenyl-benzotriazol-5-yl)thiocarbamoyl]-3-(3-nitrophenyl)acrylamide Formula: C23H18N6O3S MolecularWeight: 458.49242

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NN(N=C2C=C1NC(=S)NC(=O)C=CC3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C23H18N6O3S/c1-15-12-20-21(27-28(26-20)17-7-3-2-4-8-17)14-19(15)24-23(33)25-22(30)11-10-16-6-5-9-18(13-16)29(31)32/h2-14H,1H3,(H2,24,25,30,33)/b11-10+