4-[(E)-(3-cyclopropyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]benzoic acid

Systemtic Name: 4-[(E)-(3-cyclopropyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]benzoic acid Openeye Name: 4-[(E)-(3-cyclopropyl-5-thioxo-1H-1,2,4-triazol-4-yl)iminomethyl]benzoic acid CAS Name: 4-[(E)-(3-cyclopropyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]benzoic acid IUPAC Name: 4-[(E)-(3-cyclopropyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]benzoic acid Traditional Name: 4-[(E)-(3-cyclopropyl-5-thioxo-1H-1,2,4-triazol-4-yl)iminomethyl]benzoic acid Formula: C13H12N4O2S MolecularWeight: 288.32498

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NNC(=S)N2N=CC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1CC1C2=NNC(=S)N2/N=C/C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C13H12N4O2S/c18-12(19)10-3-1-8(2-4-10)7-14-17-11(9-5-6-9)15-16-13(17)20/h1-4,7,9H,5-6H2,(H,16,20)(H,18,19)/b14-7+