4-[5-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-4-methyl-1,2,4-triazol-3-yl]-N-(3-ethanoylphenyl)piperidine-1-carboxamide

Systemtic Name: 4-[5-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-4-methyl-1,2,4-triazol-3-yl]-N-(3-ethanoylphenyl)piperidine-1-carboxamide Openeye Name: N-(3-acetylphenyl)-4-[5-(2-amino-2-oxo-ethyl)sulfanyl-4-methyl-1,2,4-triazol-3-yl]piperidine-1-carboxamide CAS Name: N-(3-acetylphenyl)-4-[5-[(2-amino-2-oxoethyl)thio]-4-methyl-1,2,4-triazol-3-yl]-1-piperidinecarboxamide IUPAC Name: N-(3-acetylphenyl)-4-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,2,4-triazol-3-yl]piperidine-1-carboxamide Traditional Name: N-(3-acetylphenyl)-4-[5-[(2-amino-2-keto-ethyl)thio]-4-methyl-1,2,4-triazol-3-yl]piperidine-1-carboxamide Formula: C19H24N6O3S MolecularWeight: 416.49726

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)NC(=O)N2CCC(CC2)C3=NN=C(N3C)SCC(=O)N

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)NC(=O)N2CCC(CC2)C3=NN=C(N3C)SCC(=O)N

InChI

InChI=1S/C19H24N6O3S/c1-12(26)14-4-3-5-15(10-14)21-18(28)25-8-6-13(7-9-25)17-22-23-19(24(17)2)29-11-16(20)27/h3-5,10,13H,6-9,11H2,1-2H3,(H2,20,27)(H,21,28)