4-[(Z)-(3-cyclopropyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]benzoate

Systemtic Name: 4-[(Z)-(3-cyclopropyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]benzoate Openeye Name: 4-[(Z)-(3-cyclopropyl-5-thioxo-1H-1,2,4-triazol-4-yl)iminomethyl]benzoate CAS Name: 4-[(Z)-(3-cyclopropyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]benzoate IUPAC Name: 4-[(Z)-(3-cyclopropyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]benzoate Traditional Name: 4-[(Z)-(3-cyclopropyl-5-thioxo-1H-1,2,4-triazol-4-yl)iminomethyl]benzoate Formula: C13H11N4O2S- MolecularWeight: 287.31704

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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)/p-1/b14-7-