4-[3-(1,3-benzothiazol-2-ylsulfanyl)-2-oxidanylidene-propanehydrazonoyl]benzoic acid

Systemtic Name: 4-[3-(1,3-benzothiazol-2-ylsulfanyl)-2-oxidanylidene-propanehydrazonoyl]benzoic acid Openeye Name: 4-[3-(1,3-benzothiazol-2-ylsulfanyl)-2-oxo-propanehydrazonoyl]benzoic acid CAS Name: 4-[(1E)-3-(1,3-benzothiazol-2-ylthio)-1-hydrazinylidene-2-oxopropyl]benzoic acid IUPAC Name: 4-[3-(1,3-benzothiazol-2-ylsulfanyl)-2-oxopropanehydrazonoyl]benzoic acid Traditional Name: 4-[3-(1,3-benzothiazol-2-ylthio)-2-keto-propanehydrazonoyl]benzoic acid Formula: C17H13N3O3S2 MolecularWeight: 371.43342

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)SCC(=O)C(=NN)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)SCC(=O)/C(=N/N)/C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C17H13N3O3S2/c18-20-15(10-5-7-11(8-6-10)16(22)23)13(21)9-24-17-19-12-3-1-2-4-14(12)25-17/h1-8H,9,18H2,(H,22,23)/b20-15+