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

Systemtic Name: methyl 4-[[(4-cyclopropyl-3-propan-2-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-methyl-amino]methyl]benzoate Openeye Name: methyl 4-[[(4-cyclopropyl-3-isopropyl-5-thioxo-1,2,4-triazol-1-yl)methyl-methyl-amino]methyl]benzoate CAS Name: 4-[[(4-cyclopropyl-3-propan-2-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-methylamino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[(4-cyclopropyl-3-propan-2-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-methylamino]methyl]benzoate Traditional Name: 4-[[(4-cyclopropyl-3-isopropyl-5-thioxo-1,2,4-triazol-1-yl)methyl-methyl-amino]methyl]benzoic acid methyl ester Formula: C19H26N4O2S MolecularWeight: 374.50034

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NN(C(=S)N1C2CC2)CN(C)CC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC(C)C1=NN(C(=S)N1C2CC2)CN(C)CC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C19H26N4O2S/c1-13(2)17-20-22(19(26)23(17)16-9-10-16)12-21(3)11-14-5-7-15(8-6-14)18(24)25-4/h5-8,13,16H,9-12H2,1-4H3