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

Systemtic Name: (E)-N-[[2-(4-butylphenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]-3-(3-nitrophenyl)prop-2-enamide Openeye Name: (E)-N-[[2-(4-butylphenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]-3-(3-nitrophenyl)prop-2-enamide CAS Name: (E)-N-[[[2-(4-butylphenyl)-6-methyl-5-benzotriazolyl]amino]-sulfanylidenemethyl]-3-(3-nitrophenyl)-2-propenamide IUPAC Name: (E)-N-[[2-(4-butylphenyl)-6-methylbenzotriazol-5-yl]carbamothioyl]-3-(3-nitrophenyl)prop-2-enamide Traditional Name: (E)-N-[[2-(4-butylphenyl)-6-methyl-benzotriazol-5-yl]thiocarbamoyl]-3-(3-nitrophenyl)acrylamide Formula: C27H26N6O3S MolecularWeight: 514.59874

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N2N=C3C=C(C(=CC3=N2)NC(=S)NC(=O)C=CC4=CC(=CC=C4)[N+](=O)[O-])C

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2N=C3C=C(C(=CC3=N2)NC(=S)NC(=O)/C=C/C4=CC(=CC=C4)[N+](=O)[O-])C

InChI

InChI=1S/C27H26N6O3S/c1-3-4-6-19-9-12-21(13-10-19)32-30-24-15-18(2)23(17-25(24)31-32)28-27(37)29-26(34)14-11-20-7-5-8-22(16-20)33(35)36/h5,7-17H,3-4,6H2,1-2H3,(H2,28,29,34,37)/b14-11+