4-[(2-indol-3-ylidene-3H-1,3,4-oxadiazol-5-yl)sulfanylmethyl]benzoic acid

Systemtic Name: 4-[(2-indol-3-ylidene-3H-1,3,4-oxadiazol-5-yl)sulfanylmethyl]benzoic acid Openeye Name: 4-[(2-indol-3-ylidene-3H-1,3,4-oxadiazol-5-yl)sulfanylmethyl]benzoic acid CAS Name: 4-[[[2-(3-indolylidene)-3H-1,3,4-oxadiazol-5-yl]thio]methyl]benzoic acid IUPAC Name: 4-[(2-indol-3-ylidene-3H-1,3,4-oxadiazol-5-yl)sulfanylmethyl]benzoic acid Traditional Name: 4-[[(2-indol-3-ylidene-3H-1,3,4-oxadiazol-5-yl)thio]methyl]benzoic acid Formula: C18H13N3O3S MolecularWeight: 351.37912

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C3NN=C(O3)SCC4=CC=C(C=C4)C(=O)O)C=N2

Isomeric SMILES

C1=CC=C2C(=C1)C(=C3NN=C(O3)SCC4=CC=C(C=C4)C(=O)O)C=N2

InChI

InChI=1S/C18H13N3O3S/c22-17(23)12-7-5-11(6-8-12)10-25-18-21-20-16(24-18)14-9-19-15-4-2-1-3-13(14)15/h1-9,20H,10H2,(H,22,23)