propan-2-yl 4-[(4-azanyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate

Systemtic Name: propan-2-yl 4-[(4-azanyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate Openeye Name: isopropyl 4-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate CAS Name: 4-[[(4-amino-5-phenyl-1,2,4-triazol-3-yl)thio]methyl]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate Traditional Name: 4-[[(4-amino-5-phenyl-1,2,4-triazol-3-yl)thio]methyl]benzoic acid isopropyl ester Formula: C19H20N4O2S MolecularWeight: 368.4527

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=CC=C(C=C1)CSC2=NN=C(N2N)C3=CC=CC=C3

Isomeric SMILES

CC(C)OC(=O)C1=CC=C(C=C1)CSC2=NN=C(N2N)C3=CC=CC=C3

InChI

InChI=1S/C19H20N4O2S/c1-13(2)25-18(24)16-10-8-14(9-11-16)12-26-19-22-21-17(23(19)20)15-6-4-3-5-7-15/h3-11,13H,12,20H2,1-2H3