2-[[5-cyclopropyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methylpiperidin-1-yl)propan-1-one

Systemtic Name: 2-[[5-cyclopropyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methylpiperidin-1-yl)propan-1-one Openeye Name: 2-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-methyl-1-piperidyl)propan-1-one CAS Name: 2-[[5-cyclopropyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-1-(4-methyl-1-piperidinyl)-1-propanone IUPAC Name: 2-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-methylpiperidin-1-yl)propan-1-one Traditional Name: 2-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)thio]-1-(4-methylpiperidino)propan-1-one Formula: C21H28N4OS MolecularWeight: 384.53822

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)C(C)SC2=NN=C(N2CC3=CC=CC=C3)C4CC4

Isomeric SMILES

CC1CCN(CC1)C(=O)C(C)SC2=NN=C(N2CC3=CC=CC=C3)C4CC4

InChI

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