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

Systemtic Name: ethyl 2-[[5-(3-azanyl-3-oxidanylidene-propyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-4-methyl-quinoline-3-carboxylate Openeye Name: ethyl 2-[[5-(3-amino-3-oxo-propyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-4-methyl-quinoline-3-carboxylate CAS Name: 2-[[[5-(3-amino-3-oxopropyl)-4-methyl-1,2,4-triazol-3-yl]thio]methyl]-4-methyl-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[5-(3-amino-3-oxopropyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-4-methylquinoline-3-carboxylate Traditional Name: 2-[[[5-(3-amino-3-keto-propyl)-4-methyl-1,2,4-triazol-3-yl]thio]methyl]-4-methyl-quinoline-3-carboxylic acid ethyl ester Formula: C20H23N5O3S MolecularWeight: 413.49332

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2N=C1CSC3=NN=C(N3C)CCC(=O)N)C

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2N=C1CSC3=NN=C(N3C)CCC(=O)N)C

InChI

InChI=1S/C20H23N5O3S/c1-4-28-19(27)18-12(2)13-7-5-6-8-14(13)22-15(18)11-29-20-24-23-17(25(20)3)10-9-16(21)26/h5-8H,4,9-11H2,1-3H3,(H2,21,26)