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

Systemtic Name: methyl 4-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate Openeye Name: methyl 4-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate CAS Name: 4-[[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate Traditional Name: 4-[[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)thio]methyl]benzoic acid methyl ester Formula: C20H19N3O2S MolecularWeight: 365.44876

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CSC2=NN(C(=N2)C3CC3)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CSC2=NN(C(=N2)C3CC3)C4=CC=CC=C4

InChI

InChI=1S/C20H19N3O2S/c1-25-19(24)16-9-7-14(8-10-16)13-26-20-21-18(15-11-12-15)23(22-20)17-5-3-2-4-6-17/h2-10,15H,11-13H2,1H3