N-[[2-(4-methoxyphenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]-3-(3-nitrophenyl)prop-2-enamide

Systemtic Name: N-[[2-(4-methoxyphenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]-3-(3-nitrophenyl)prop-2-enamide Openeye Name: N-[[2-(4-methoxyphenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]-3-(3-nitrophenyl)prop-2-enamide CAS Name: N-[[[2-(4-methoxyphenyl)-6-methyl-5-benzotriazolyl]amino]-sulfanylidenemethyl]-3-(3-nitrophenyl)-2-propenamide IUPAC Name: N-[[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]carbamothioyl]-3-(3-nitrophenyl)prop-2-enamide Traditional Name: N-[[2-(4-methoxyphenyl)-6-methyl-benzotriazol-5-yl]thiocarbamoyl]-3-(3-nitrophenyl)acrylamide Formula: C24H20N6O4S MolecularWeight: 488.5184

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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=C(C=C4)OC

Isomeric SMILES

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

InChI

InChI=1S/C24H20N6O4S/c1-15-12-21-22(28-29(27-21)17-7-9-19(34-2)10-8-17)14-20(15)25-24(35)26-23(31)11-6-16-4-3-5-18(13-16)30(32)33/h3-14H,1-2H3,(H2,25,26,31,35)