2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)-N-[(3-pyrrolidin-1-ylcarbonylphenyl)methyl]ethanamide

Systemtic Name: 2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)-N-[(3-pyrrolidin-1-ylcarbonylphenyl)methyl]ethanamide Openeye Name: 2-(3-propyl-5-thioxo-1H-1,2,4-triazol-4-yl)-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide CAS Name: N-[[3-[oxo(1-pyrrolidinyl)methyl]phenyl]methyl]-2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)acetamide IUPAC Name: 2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide Traditional Name: 2-(3-propyl-5-thioxo-1H-1,2,4-triazol-4-yl)-N-[3-(pyrrolidine-1-carbonyl)benzyl]acetamide Formula: C19H25N5O2S MolecularWeight: 387.4991

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NNC(=S)N1CC(=O)NCC2=CC=CC(=C2)C(=O)N3CCCC3

Isomeric SMILES

CCCC1=NNC(=S)N1CC(=O)NCC2=CC=CC(=C2)C(=O)N3CCCC3

InChI

InChI=1S/C19H25N5O2S/c1-2-6-16-21-22-19(27)24(16)13-17(25)20-12-14-7-5-8-15(11-14)18(26)23-9-3-4-10-23/h5,7-8,11H,2-4,6,9-10,12-13H2,1H3,(H,20,25)(H,22,27)