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

Systemtic Name: methyl 4-[[methyl-[(4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]amino]methyl]benzoate Openeye Name: methyl 4-[[methyl-[(4-methyl-5-thioxo-1,2,4-triazol-1-yl)methyl]amino]methyl]benzoate CAS Name: 4-[[methyl-[(4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[methyl-[(4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]amino]methyl]benzoate Traditional Name: 4-[[methyl-[(4-methyl-5-thioxo-1,2,4-triazol-1-yl)methyl]amino]methyl]benzoic acid methyl ester Formula: C14H18N4O2S MolecularWeight: 306.38332

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN(C1=S)CN(C)CC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CN1C=NN(C1=S)CN(C)CC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C14H18N4O2S/c1-16(10-18-14(21)17(2)9-15-18)8-11-4-6-12(7-5-11)13(19)20-3/h4-7,9H,8,10H2,1-3H3