(2S)-2-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide

Systemtic Name: (2S)-2-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide Openeye Name: (2S)-2-[(4-allyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide CAS Name: (2S)-2-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]-N-[4-(1-pyrrolidinylsulfonyl)phenyl]propanamide IUPAC Name: (2S)-2-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide Traditional Name: (2S)-2-[(4-allyl-5-cyclopropyl-1,2,4-triazol-3-yl)thio]-N-(4-pyrrolidinosulfonylphenyl)propionamide Formula: C21H27N5O3S2 MolecularWeight: 461.60078

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCC2)SC3=NN=C(N3CC=C)C4CC4

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCC2)SC3=NN=C(N3CC=C)C4CC4

InChI

InChI=1S/C21H27N5O3S2/c1-3-12-26-19(16-6-7-16)23-24-21(26)30-15(2)20(27)22-17-8-10-18(11-9-17)31(28,29)25-13-4-5-14-25/h3,8-11,15-16H,1,4-7,12-14H2,2H3,(H,22,27)/t15-/m0/s1