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

Systemtic Name: methyl 4-[[(3,4-dimethyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-methyl-amino]methyl]benzoate Openeye Name: methyl 4-[[(3,4-dimethyl-5-thioxo-1,2,4-triazol-1-yl)methyl-methyl-amino]methyl]benzoate CAS Name: 4-[[(3,4-dimethyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-methylamino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[(3,4-dimethyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-methylamino]methyl]benzoate Traditional Name: 4-[[(3,4-dimethyl-5-thioxo-1,2,4-triazol-1-yl)methyl-methyl-amino]methyl]benzoic acid methyl ester Formula: C15H20N4O2S MolecularWeight: 320.4099

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=S)N1C)CN(C)CC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CC1=NN(C(=S)N1C)CN(C)CC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C15H20N4O2S/c1-11-16-19(15(22)18(11)3)10-17(2)9-12-5-7-13(8-6-12)14(20)21-4/h5-8H,9-10H2,1-4H3