methyl 2-[[5-cyclopropyl-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanoate

Systemtic Name: methyl 2-[[5-cyclopropyl-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanoate Openeye Name: methyl 2-[[5-cyclopropyl-4-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]propanoate CAS Name: 2-[[5-cyclopropyl-4-(4-methylphenyl)-1,2,4-triazol-3-yl]thio]propanoic acid methyl ester IUPAC Name: methyl 2-[[5-cyclopropyl-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanoate Traditional Name: 2-[[5-cyclopropyl-4-(p-tolyl)-1,2,4-triazol-3-yl]thio]propionic acid methyl ester Formula: C16H19N3O2S MolecularWeight: 317.40596

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SC(C)C(=O)OC)C3CC3

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SC(C)C(=O)OC)C3CC3

InChI

InChI=1S/C16H19N3O2S/c1-10-4-8-13(9-5-10)19-14(12-6-7-12)17-18-16(19)22-11(2)15(20)21-3/h4-5,8-9,11-12H,6-7H2,1-3H3