4-(3-phenethyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)benzoic acid

Systemtic Name: 4-(3-phenethyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)benzoic acid Openeye Name: 4-(3-phenethyl-5-thioxo-1H-1,2,4-triazol-4-yl)benzoic acid CAS Name: 4-(3-phenethyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)benzoic acid IUPAC Name: 4-(3-phenethyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)benzoic acid Traditional Name: 4-(3-phenethyl-5-thioxo-1H-1,2,4-triazol-4-yl)benzoic acid Formula: C17H15N3O2S MolecularWeight: 325.3849

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC2=NNC(=S)N2C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCC2=NNC(=S)N2C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C17H15N3O2S/c21-16(22)13-7-9-14(10-8-13)20-15(18-19-17(20)23)11-6-12-4-2-1-3-5-12/h1-5,7-10H,6,11H2,(H,19,23)(H,21,22)