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

Systemtic Name: (E)-N-[[2-(4-butylphenyl)benzotriazol-5-yl]carbamothioyl]-3-phenyl-prop-2-enamide Openeye Name: (E)-N-[[2-(4-butylphenyl)benzotriazol-5-yl]carbamothioyl]-3-phenyl-prop-2-enamide CAS Name: (E)-N-[[[2-(4-butylphenyl)-5-benzotriazolyl]amino]-sulfanylidenemethyl]-3-phenyl-2-propenamide IUPAC Name: (E)-N-[[2-(4-butylphenyl)benzotriazol-5-yl]carbamothioyl]-3-phenylprop-2-enamide Traditional Name: (E)-N-[[2-(4-butylphenyl)benzotriazol-5-yl]thiocarbamoyl]-3-phenyl-acrylamide Formula: C26H25N5OS MolecularWeight: 455.5746

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N2N=C3C=CC(=CC3=N2)NC(=S)NC(=O)C=CC4=CC=CC=C4

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2N=C3C=CC(=CC3=N2)NC(=S)NC(=O)/C=C/C4=CC=CC=C4

InChI

InChI=1S/C26H25N5OS/c1-2-3-7-20-10-14-22(15-11-20)31-29-23-16-13-21(18-24(23)30-31)27-26(33)28-25(32)17-12-19-8-5-4-6-9-19/h4-6,8-18H,2-3,7H2,1H3,(H2,27,28,32,33)/b17-12+