4-[[2,2-dicyano-1-(prop-2-enylamino)ethenyl]sulfanylmethyl]benzoic acid

Systemtic Name: 4-[[2,2-dicyano-1-(prop-2-enylamino)ethenyl]sulfanylmethyl]benzoic acid Openeye Name: 4-[[1-(allylamino)-2,2-dicyano-vinyl]sulfanylmethyl]benzoic acid CAS Name: 4-[[[2,2-dicyano-1-(prop-2-enylamino)ethenyl]thio]methyl]benzoic acid IUPAC Name: 4-[[2,2-dicyano-1-(prop-2-enylamino)ethenyl]sulfanylmethyl]benzoic acid Traditional Name: 4-[[[1-(allylamino)-2,2-dicyano-vinyl]thio]methyl]benzoic acid Formula: C15H13N3O2S MolecularWeight: 299.34762

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=C(C#N)C#N)SCC1=CC=C(C=C1)C(=O)O

Isomeric SMILES

C=CCNC(=C(C#N)C#N)SCC1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C15H13N3O2S/c1-2-7-18-14(13(8-16)9-17)21-10-11-3-5-12(6-4-11)15(19)20/h2-6,18H,1,7,10H2,(H,19,20)