methyl 4-[(E)-(3-propan-2-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]benzoate

Systemtic Name: methyl 4-[(E)-(3-propan-2-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]benzoate Openeye Name: methyl 4-[(E)-(3-isopropyl-5-thioxo-1H-1,2,4-triazol-4-yl)iminomethyl]benzoate CAS Name: 4-[(E)-(3-propan-2-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E)-(3-propan-2-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]benzoate Traditional Name: 4-[(E)-(3-isopropyl-5-thioxo-1H-1,2,4-triazol-4-yl)iminomethyl]benzoic acid methyl ester Formula: C14H16N4O2S MolecularWeight: 304.36744

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NNC(=S)N1N=CC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CC(C)C1=NNC(=S)N1/N=C/C2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C14H16N4O2S/c1-9(2)12-16-17-14(21)18(12)15-8-10-4-6-11(7-5-10)13(19)20-3/h4-9H,1-3H3,(H,17,21)/b15-8+