2-[(4-azanyl-5-tert-butyl-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(phenylmethyl)piperidin-1-yl]ethanone

Systemtic Name: 2-[(4-azanyl-5-tert-butyl-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(phenylmethyl)piperidin-1-yl]ethanone Openeye Name: 2-[(4-amino-5-tert-butyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-benzyl-1-piperidyl)ethanone CAS Name: 2-[(4-amino-5-tert-butyl-1,2,4-triazol-3-yl)thio]-1-[4-(phenylmethyl)-1-piperidinyl]ethanone IUPAC Name: 2-[(4-amino-5-tert-butyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-benzylpiperidin-1-yl)ethanone Traditional Name: 2-[(4-amino-5-tert-butyl-1,2,4-triazol-3-yl)thio]-1-(4-benzylpiperidino)ethanone Formula: C20H29N5OS MolecularWeight: 387.54216

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN=C(N1N)SCC(=O)N2CCC(CC2)CC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=NN=C(N1N)SCC(=O)N2CCC(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C20H29N5OS/c1-20(2,3)18-22-23-19(25(18)21)27-14-17(26)24-11-9-16(10-12-24)13-15-7-5-4-6-8-15/h4-8,16H,9-14,21H2,1-3H3