(E)-2-cyano-N-phenyl-3-[2-(2-sulfanylidene-3a,7a-dihydro-3H-1,3-benzoxazol-5-yl)ethylsulfanyl]prop-2-enamide

Systemtic Name: (E)-2-cyano-N-phenyl-3-[2-(2-sulfanylidene-3a,7a-dihydro-3H-1,3-benzoxazol-5-yl)ethylsulfanyl]prop-2-enamide Openeye Name: (E)-2-cyano-N-phenyl-3-[2-(2-thioxo-3a,7a-dihydro-3H-1,3-benzoxazol-5-yl)ethylsulfanyl]prop-2-enamide CAS Name: (E)-2-cyano-N-phenyl-3-[2-(2-sulfanylidene-3a,7a-dihydro-3H-1,3-benzoxazol-5-yl)ethylthio]-2-propenamide IUPAC Name: (E)-2-cyano-N-phenyl-3-[2-(2-sulfanylidene-3a,7a-dihydro-3H-1,3-benzoxazol-5-yl)ethylsulfanyl]prop-2-enamide Traditional Name: (E)-2-cyano-N-phenyl-3-[2-(2-thioxo-3a,7a-dihydro-3H-1,3-benzoxazol-5-yl)ethylthio]acrylamide Formula: C19H17N3O2S2 MolecularWeight: 383.48718

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)C(=CSCCC2=CC3C(C=C2)OC(=S)N3)C#N

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)/C(=C/SCCC2=CC3C(C=C2)OC(=S)N3)/C#N

InChI

InChI=1S/C19H17N3O2S2/c20-11-14(18(23)21-15-4-2-1-3-5-15)12-26-9-8-13-6-7-17-16(10-13)22-19(25)24-17/h1-7,10,12,16-17H,8-9H2,(H,21,23)(H,22,25)/b14-12+