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

Systemtic Name: 2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)-N-[(4-pyrrolidin-1-ylcarbonylphenyl)methyl]ethanamide Openeye Name: 2-(3-propyl-5-thioxo-1H-1,2,4-triazol-4-yl)-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide CAS Name: N-[[4-[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-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide Traditional Name: 2-(3-propyl-5-thioxo-1H-1,2,4-triazol-4-yl)-N-[4-(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=C(C=C2)C(=O)N3CCCC3

Isomeric SMILES

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

InChI

InChI=1S/C19H25N5O2S/c1-2-5-16-21-22-19(27)24(16)13-17(25)20-12-14-6-8-15(9-7-14)18(26)23-10-3-4-11-23/h6-9H,2-5,10-13H2,1H3,(H,20,25)(H,22,27)