3-[5-(4-chlorophenyl)furan-2-yl]-N-[(6-methyl-2-phenyl-benzotriazol-5-yl)carbamothioyl]prop-2-enamide

Systemtic Name: 3-[5-(4-chlorophenyl)furan-2-yl]-N-[(6-methyl-2-phenyl-benzotriazol-5-yl)carbamothioyl]prop-2-enamide Openeye Name: 3-[5-(4-chlorophenyl)-2-furyl]-N-[(6-methyl-2-phenyl-benzotriazol-5-yl)carbamothioyl]prop-2-enamide CAS Name: 3-[5-(4-chlorophenyl)-2-furanyl]-N-[[(6-methyl-2-phenyl-5-benzotriazolyl)amino]-sulfanylidenemethyl]-2-propenamide IUPAC Name: 3-[5-(4-chlorophenyl)furan-2-yl]-N-[(6-methyl-2-phenylbenzotriazol-5-yl)carbamothioyl]prop-2-enamide Traditional Name: 3-[5-(4-chlorophenyl)-2-furyl]-N-[(6-methyl-2-phenyl-benzotriazol-5-yl)thiocarbamoyl]acrylamide Formula: C27H20ClN5O2S MolecularWeight: 513.998

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NN(N=C2C=C1NC(=S)NC(=O)C=CC3=CC=C(O3)C4=CC=C(C=C4)Cl)C5=CC=CC=C5

Isomeric SMILES

CC1=CC2=NN(N=C2C=C1NC(=S)NC(=O)C=CC3=CC=C(O3)C4=CC=C(C=C4)Cl)C5=CC=CC=C5

InChI

InChI=1S/C27H20ClN5O2S/c1-17-15-23-24(32-33(31-23)20-5-3-2-4-6-20)16-22(17)29-27(36)30-26(34)14-12-21-11-13-25(35-21)18-7-9-19(28)10-8-18/h2-16H,1H3,(H2,29,30,34,36)