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

Systemtic Name: (E)-N-[(6-chloranyl-2-phenyl-benzotriazol-5-yl)carbamothioyl]-3-(5-phenylfuran-2-yl)prop-2-enamide Openeye Name: (E)-N-[(6-chloro-2-phenyl-benzotriazol-5-yl)carbamothioyl]-3-(5-phenyl-2-furyl)prop-2-enamide CAS Name: (E)-N-[[(6-chloro-2-phenyl-5-benzotriazolyl)amino]-sulfanylidenemethyl]-3-(5-phenyl-2-furanyl)-2-propenamide IUPAC Name: (E)-N-[(6-chloro-2-phenylbenzotriazol-5-yl)carbamothioyl]-3-(5-phenylfuran-2-yl)prop-2-enamide Traditional Name: (E)-N-[(6-chloro-2-phenyl-benzotriazol-5-yl)thiocarbamoyl]-3-(5-phenyl-2-furyl)acrylamide Formula: C26H18ClN5O2S MolecularWeight: 499.97142

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(O2)C=CC(=O)NC(=S)NC3=CC4=NN(N=C4C=C3Cl)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(O2)/C=C/C(=O)NC(=S)NC3=CC4=NN(N=C4C=C3Cl)C5=CC=CC=C5

InChI

InChI=1S/C26H18ClN5O2S/c27-20-15-22-23(31-32(30-22)18-9-5-2-6-10-18)16-21(20)28-26(35)29-25(33)14-12-19-11-13-24(34-19)17-7-3-1-4-8-17/h1-16H,(H2,28,29,33,35)/b14-12+