methyl 4-[[(4-cyclopropyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-methyl-amino]methyl]benzoate

Systemtic Name: methyl 4-[[(4-cyclopropyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-methyl-amino]methyl]benzoate Openeye Name: methyl 4-[[(4-cyclopropyl-5-thioxo-1,2,4-triazol-1-yl)methyl-methyl-amino]methyl]benzoate CAS Name: 4-[[(4-cyclopropyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-methylamino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[(4-cyclopropyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-methylamino]methyl]benzoate Traditional Name: 4-[[(4-cyclopropyl-5-thioxo-1,2,4-triazol-1-yl)methyl-methyl-amino]methyl]benzoic acid methyl ester Formula: C16H20N4O2S MolecularWeight: 332.4206

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)C(=O)OC)CN2C(=S)N(C=N2)C3CC3

Isomeric SMILES

CN(CC1=CC=C(C=C1)C(=O)OC)CN2C(=S)N(C=N2)C3CC3

InChI

InChI=1S/C16H20N4O2S/c1-18(9-12-3-5-13(6-4-12)15(21)22-2)11-20-16(23)19(10-17-20)14-7-8-14/h3-6,10,14H,7-9,11H2,1-2H3