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

Systemtic Name: methyl 2-[[4-(3-azanyl-3-oxidanylidene-propyl)-5-cyclopropyl-1,2,4-triazol-3-yl]sulfanylmethyl]-4-phenyl-quinoline-3-carboxylate Openeye Name: methyl 2-[[4-(3-amino-3-oxo-propyl)-5-cyclopropyl-1,2,4-triazol-3-yl]sulfanylmethyl]-4-phenyl-quinoline-3-carboxylate CAS Name: 2-[[[4-(3-amino-3-oxopropyl)-5-cyclopropyl-1,2,4-triazol-3-yl]thio]methyl]-4-phenyl-3-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[[4-(3-amino-3-oxopropyl)-5-cyclopropyl-1,2,4-triazol-3-yl]sulfanylmethyl]-4-phenylquinoline-3-carboxylate Traditional Name: 2-[[[4-(3-amino-3-keto-propyl)-5-cyclopropyl-1,2,4-triazol-3-yl]thio]methyl]-4-phenyl-quinoline-3-carboxylic acid methyl ester Formula: C26H25N5O3S MolecularWeight: 487.5734

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=CC=CC=C2N=C1CSC3=NN=C(N3CCC(=O)N)C4CC4)C5=CC=CC=C5

Isomeric SMILES

COC(=O)C1=C(C2=CC=CC=C2N=C1CSC3=NN=C(N3CCC(=O)N)C4CC4)C5=CC=CC=C5

InChI

InChI=1S/C26H25N5O3S/c1-34-25(33)23-20(15-35-26-30-29-24(17-11-12-17)31(26)14-13-21(27)32)28-19-10-6-5-9-18(19)22(23)16-7-3-2-4-8-16/h2-10,17H,11-15H2,1H3,(H2,27,32)