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

Systemtic Name: 2-[(4-cyclopropyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-2-phenyl-1-piperidin-1-yl-ethanone Openeye Name: 2-[(4-cyclopropyl-5-isopropyl-1,2,4-triazol-3-yl)sulfanyl]-2-phenyl-1-(1-piperidyl)ethanone CAS Name: 2-[(4-cyclopropyl-5-propan-2-yl-1,2,4-triazol-3-yl)thio]-2-phenyl-1-(1-piperidinyl)ethanone IUPAC Name: 2-[(4-cyclopropyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-2-phenyl-1-piperidin-1-ylethanone Traditional Name: 2-[(4-cyclopropyl-5-isopropyl-1,2,4-triazol-3-yl)thio]-2-phenyl-1-piperidino-ethanone Formula: C21H28N4OS MolecularWeight: 384.53822

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NN=C(N1C2CC2)SC(C3=CC=CC=C3)C(=O)N4CCCCC4

Isomeric SMILES

CC(C)C1=NN=C(N1C2CC2)SC(C3=CC=CC=C3)C(=O)N4CCCCC4

InChI

InChI=1S/C21H28N4OS/c1-15(2)19-22-23-21(25(19)17-11-12-17)27-18(16-9-5-3-6-10-16)20(26)24-13-7-4-8-14-24/h3,5-6,9-10,15,17-18H,4,7-8,11-14H2,1-2H3