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

Systemtic Name: methyl 4-[[methyl-[(4-propan-2-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]amino]methyl]benzoate Openeye Name: methyl 4-[[(4-isopropyl-5-thioxo-1,2,4-triazol-1-yl)methyl-methyl-amino]methyl]benzoate CAS Name: 4-[[methyl-[(4-propan-2-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[methyl-[(4-propan-2-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]amino]methyl]benzoate Traditional Name: 4-[[(4-isopropyl-5-thioxo-1,2,4-triazol-1-yl)methyl-methyl-amino]methyl]benzoic acid methyl ester Formula: C16H22N4O2S MolecularWeight: 334.43648

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=NN(C1=S)CN(C)CC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CC(C)N1C=NN(C1=S)CN(C)CC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C16H22N4O2S/c1-12(2)19-10-17-20(16(19)23)11-18(3)9-13-5-7-14(8-6-13)15(21)22-4/h5-8,10,12H,9,11H2,1-4H3