ethyl 3-[2-(4-bromophenyl)carbonylhydrazinyl]-2-cyano-3-methylsulfanyl-prop-2-enoate

Systemtic Name: ethyl 3-[2-(4-bromophenyl)carbonylhydrazinyl]-2-cyano-3-methylsulfanyl-prop-2-enoate Openeye Name: ethyl 3-[2-(4-bromobenzoyl)hydrazino]-2-cyano-3-methylsulfanyl-prop-2-enoate CAS Name: 3-[[(4-bromophenyl)-oxomethyl]hydrazo]-2-cyano-3-(methylthio)-2-propenoic acid ethyl ester IUPAC Name: ethyl 3-[2-(4-bromobenzoyl)hydrazinyl]-2-cyano-3-methylsulfanylprop-2-enoate Traditional Name: 3-[N'-(4-bromobenzoyl)hydrazino]-2-cyano-3-(methylthio)acrylic acid ethyl ester Formula: C14H14BrN3O3S MolecularWeight: 384.24826

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C(NNC(=O)C1=CC=C(C=C1)Br)SC)C#N

Isomeric SMILES

CCOC(=O)C(=C(NNC(=O)C1=CC=C(C=C1)Br)SC)C#N

InChI

InChI=1S/C14H14BrN3O3S/c1-3-21-14(20)11(8-16)13(22-2)18-17-12(19)9-4-6-10(15)7-5-9/h4-7,18H,3H2,1-2H3,(H,17,19)