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

Systemtic Name: methyl 4-[[5-(3-azanyl-3-oxidanylidene-propyl)-4-cyclopropyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate Openeye Name: methyl 4-[[5-(3-amino-3-oxo-propyl)-4-cyclopropyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate CAS Name: 4-[[[5-(3-amino-3-oxopropyl)-4-cyclopropyl-1,2,4-triazol-3-yl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[5-(3-amino-3-oxopropyl)-4-cyclopropyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate Traditional Name: 4-[[[5-(3-amino-3-keto-propyl)-4-cyclopropyl-1,2,4-triazol-3-yl]thio]methyl]benzoic acid methyl ester Formula: C17H20N4O3S MolecularWeight: 360.4307

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CSC2=NN=C(N2C3CC3)CCC(=O)N

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CSC2=NN=C(N2C3CC3)CCC(=O)N

InChI

InChI=1S/C17H20N4O3S/c1-24-16(23)12-4-2-11(3-5-12)10-25-17-20-19-15(9-8-14(18)22)21(17)13-6-7-13/h2-5,13H,6-10H2,1H3,(H2,18,22)