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

Systemtic Name: 2-[(4-azanyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(phenylmethyl)piperidin-1-yl]ethanone Openeye Name: 2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-benzyl-1-piperidyl)ethanone CAS Name: 2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)thio]-1-[4-(phenylmethyl)-1-piperidinyl]ethanone IUPAC Name: 2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-benzylpiperidin-1-yl)ethanone Traditional Name: 2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)thio]-1-(4-benzylpiperidino)ethanone Formula: C19H25N5OS MolecularWeight: 371.4997

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN=C(N2N)SCC(=O)N3CCC(CC3)CC4=CC=CC=C4

Isomeric SMILES

C1CC1C2=NN=C(N2N)SCC(=O)N3CCC(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C19H25N5OS/c20-24-18(16-6-7-16)21-22-19(24)26-13-17(25)23-10-8-15(9-11-23)12-14-4-2-1-3-5-14/h1-5,15-16H,6-13,20H2