(2S)-2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methoxy-5-methyl-phenyl)-2-phenyl-ethanamide

Systemtic Name: (2S)-2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methoxy-5-methyl-phenyl)-2-phenyl-ethanamide Openeye Name: (2S)-2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methoxy-5-methyl-phenyl)-2-phenyl-acetamide CAS Name: (2S)-2-[[4-cyclopropyl-5-(1-pyrrolidinyl)-1,2,4-triazol-3-yl]thio]-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide IUPAC Name: (2S)-2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide Traditional Name: (2S)-2-[(4-cyclopropyl-5-pyrrolidino-1,2,4-triazol-3-yl)thio]-N-(2-methoxy-5-methyl-phenyl)-2-phenyl-acetamide Formula: C25H29N5O2S MolecularWeight: 463.59506

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC(=O)C(C2=CC=CC=C2)SC3=NN=C(N3C4CC4)N5CCCC5

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC(=O)[C@H](C2=CC=CC=C2)SC3=NN=C(N3C4CC4)N5CCCC5

InChI

InChI=1S/C25H29N5O2S/c1-17-10-13-21(32-2)20(16-17)26-23(31)22(18-8-4-3-5-9-18)33-25-28-27-24(29-14-6-7-15-29)30(25)19-11-12-19/h3-5,8-10,13,16,19,22H,6-7,11-12,14-15H2,1-2H3,(H,26,31)/t22-/m0/s1