2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[(2R)-4-phenylbutan-2-yl]ethanamide

Systemtic Name: 2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[(2R)-4-phenylbutan-2-yl]ethanamide Openeye Name: 2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[(1R)-1-methyl-3-phenyl-propyl]acetamide CAS Name: 2-[[4-cyclopropyl-5-(1-pyrrolidinyl)-1,2,4-triazol-3-yl]thio]-N-[(2R)-4-phenylbutan-2-yl]acetamide IUPAC Name: 2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[(2R)-4-phenylbutan-2-yl]acetamide Traditional Name: 2-[(4-cyclopropyl-5-pyrrolidino-1,2,4-triazol-3-yl)thio]-N-[(1R)-1-methyl-3-phenyl-propyl]acetamide Formula: C21H29N5OS MolecularWeight: 399.55286

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)NC(=O)CSC2=NN=C(N2C3CC3)N4CCCC4

Isomeric SMILES

C[C@H](CCC1=CC=CC=C1)NC(=O)CSC2=NN=C(N2C3CC3)N4CCCC4

InChI

InChI=1S/C21H29N5OS/c1-16(9-10-17-7-3-2-4-8-17)22-19(27)15-28-21-24-23-20(25-13-5-6-14-25)26(21)18-11-12-18/h2-4,7-8,16,18H,5-6,9-15H2,1H3,(H,22,27)/t16-/m1/s1