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

Systemtic Name: methyl 4-[[(4-cyclopropyl-3-methyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-methyl-amino]methyl]benzoate Openeye Name: methyl 4-[[(4-cyclopropyl-3-methyl-5-thioxo-1,2,4-triazol-1-yl)methyl-methyl-amino]methyl]benzoate CAS Name: 4-[[(4-cyclopropyl-3-methyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-methylamino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[(4-cyclopropyl-3-methyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-methylamino]methyl]benzoate Traditional Name: 4-[[(4-cyclopropyl-3-methyl-5-thioxo-1,2,4-triazol-1-yl)methyl-methyl-amino]methyl]benzoic acid methyl ester Formula: C17H22N4O2S MolecularWeight: 346.44718

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=S)N1C2CC2)CN(C)CC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC1=NN(C(=S)N1C2CC2)CN(C)CC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C17H22N4O2S/c1-12-18-20(17(24)21(12)15-8-9-15)11-19(2)10-13-4-6-14(7-5-13)16(22)23-3/h4-7,15H,8-11H2,1-3H3