(2S)-2-[(4-cyclopropyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-phenoxyphenyl)propanamide

Systemtic Name: (2S)-2-[(4-cyclopropyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-phenoxyphenyl)propanamide Openeye Name: (2S)-2-[[4-cyclopropyl-5-(1-piperidyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-phenoxyphenyl)propanamide CAS Name: (2S)-2-[[4-cyclopropyl-5-(1-piperidinyl)-1,2,4-triazol-3-yl]thio]-N-(4-phenoxyphenyl)propanamide IUPAC Name: (2S)-2-[(4-cyclopropyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-phenoxyphenyl)propanamide Traditional Name: (2S)-2-[(4-cyclopropyl-5-piperidino-1,2,4-triazol-3-yl)thio]-N-(4-phenoxyphenyl)propionamide Formula: C25H29N5O2S MolecularWeight: 463.59506

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)OC2=CC=CC=C2)SC3=NN=C(N3C4CC4)N5CCCCC5

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)OC2=CC=CC=C2)SC3=NN=C(N3C4CC4)N5CCCCC5

InChI

InChI=1S/C25H29N5O2S/c1-18(23(31)26-19-10-14-22(15-11-19)32-21-8-4-2-5-9-21)33-25-28-27-24(30(25)20-12-13-20)29-16-6-3-7-17-29/h2,4-5,8-11,14-15,18,20H,3,6-7,12-13,16-17H2,1H3,(H,26,31)/t18-/m0/s1