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

Systemtic Name: methyl 4-[[methyl-[(5-propan-2-yl-3-sulfanylidene-1H-1,2,4-triazol-2-yl)methyl]amino]methyl]benzoate Openeye Name: methyl 4-[[(5-isopropyl-3-thioxo-1H-1,2,4-triazol-2-yl)methyl-methyl-amino]methyl]benzoate CAS Name: 4-[[methyl-[(5-propan-2-yl-3-sulfanylidene-1H-1,2,4-triazol-2-yl)methyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[methyl-[(5-propan-2-yl-3-sulfanylidene-1H-1,2,4-triazol-2-yl)methyl]amino]methyl]benzoate Traditional Name: 4-[[(5-isopropyl-3-thioxo-1H-1,2,4-triazol-2-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)C1=NC(=S)N(N1)CN(C)CC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CC(C)C1=NC(=S)N(N1)CN(C)CC2=CC=C(C=C2)C(=O)OC

InChI

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