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

Systemtic Name: (2S)-2-[[5-cyclopropyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-piperidin-1-yl-propan-1-one Openeye Name: (2S)-2-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-1-(1-piperidyl)propan-1-one CAS Name: (2S)-2-[[5-cyclopropyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-1-(1-piperidinyl)-1-propanone IUPAC Name: (2S)-2-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-1-piperidin-1-ylpropan-1-one Traditional Name: (2S)-2-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)thio]-1-piperidino-propan-1-one Formula: C20H26N4OS MolecularWeight: 370.51164

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCC1)SC2=NN=C(N2CC3=CC=CC=C3)C4CC4

Isomeric SMILES

C[C@@H](C(=O)N1CCCCC1)SC2=NN=C(N2CC3=CC=CC=C3)C4CC4

InChI

InChI=1S/C20H26N4OS/c1-15(19(25)23-12-6-3-7-13-23)26-20-22-21-18(17-10-11-17)24(20)14-16-8-4-2-5-9-16/h2,4-5,8-9,15,17H,3,6-7,10-14H2,1H3/t15-/m0/s1