(2R)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide

Systemtic Name: (2R)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide Openeye Name: (2R)-2-[(4-isopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide CAS Name: (2R)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)thio]-N-[4-(1-pyrrolidinylsulfonyl)phenyl]propanamide IUPAC Name: (2R)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide Traditional Name: (2R)-2-[(4-isopropyl-1,2,4-triazol-3-yl)thio]-N-(4-pyrrolidinosulfonylphenyl)propionamide Formula: C18H25N5O3S2 MolecularWeight: 423.5528

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=NN=C1SC(C)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCC2)SC3=NN=CN3C(C)C

InChI

InChI=1S/C18H25N5O3S2/c1-13(2)23-12-19-21-18(23)27-14(3)17(24)20-15-6-8-16(9-7-15)28(25,26)22-10-4-5-11-22/h6-9,12-14H,4-5,10-11H2,1-3H3,(H,20,24)/t14-/m1/s1