methyl 4-[[(3,4-dicyclopropyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-methyl-amino]methyl]benzoate

Systemtic Name: methyl 4-[[(3,4-dicyclopropyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-methyl-amino]methyl]benzoate Openeye Name: methyl 4-[[(3,4-dicyclopropyl-5-thioxo-1,2,4-triazol-1-yl)methyl-methyl-amino]methyl]benzoate CAS Name: 4-[[(3,4-dicyclopropyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-methylamino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[(3,4-dicyclopropyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-methylamino]methyl]benzoate Traditional Name: 4-[[(3,4-dicyclopropyl-5-thioxo-1,2,4-triazol-1-yl)methyl-methyl-amino]methyl]benzoic acid methyl ester Formula: C19H24N4O2S MolecularWeight: 372.48446

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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)C4CC4

Isomeric SMILES

CN(CC1=CC=C(C=C1)C(=O)OC)CN2C(=S)N(C(=N2)C3CC3)C4CC4

InChI

InChI=1S/C19H24N4O2S/c1-21(11-13-3-5-15(6-4-13)18(24)25-2)12-22-19(26)23(16-9-10-16)17(20-22)14-7-8-14/h3-6,14,16H,7-12H2,1-2H3