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

Systemtic Name: methyl 4-[[(4-cyclopropyl-5-sulfanylidene-3-thiophen-2-yl-1,2,4-triazol-1-yl)methyl-methyl-amino]methyl]benzoate Openeye Name: methyl 4-[[[4-cyclopropyl-3-(2-thienyl)-5-thioxo-1,2,4-triazol-1-yl]methyl-methyl-amino]methyl]benzoate CAS Name: 4-[[(4-cyclopropyl-5-sulfanylidene-3-thiophen-2-yl-1,2,4-triazol-1-yl)methyl-methylamino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[(4-cyclopropyl-5-sulfanylidene-3-thiophen-2-yl-1,2,4-triazol-1-yl)methyl-methylamino]methyl]benzoate Traditional Name: 4-[[[4-cyclopropyl-3-(2-thienyl)-5-thioxo-1,2,4-triazol-1-yl]methyl-methyl-amino]methyl]benzoic acid methyl ester Formula: C20H22N4O2S2 MolecularWeight: 414.54428

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)C(=O)OC)CN2C(=S)N(C(=N2)C3=CC=CS3)C4CC4

Isomeric SMILES

CN(CC1=CC=C(C=C1)C(=O)OC)CN2C(=S)N(C(=N2)C3=CC=CS3)C4CC4

InChI

InChI=1S/C20H22N4O2S2/c1-22(12-14-5-7-15(8-6-14)19(25)26-2)13-23-20(27)24(16-9-10-16)18(21-23)17-4-3-11-28-17/h3-8,11,16H,9-10,12-13H2,1-2H3