N-aminocarbonyl-2-[[4-phenyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide

Systemtic Name: N-aminocarbonyl-2-[[4-phenyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: N-carbamoyl-2-[[4-phenyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: N-carbamoyl-2-[[4-phenyl-5-(1-pyrrolidinylmethyl)-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: N-carbamoyl-2-[[4-phenyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide Traditional Name: N-carbamoyl-2-[[4-phenyl-5-(pyrrolidinomethyl)-1,2,4-triazol-3-yl]thio]propionamide Formula: C17H22N6O2S MolecularWeight: 374.46058

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)N)SC1=NN=C(N1C2=CC=CC=C2)CN3CCCC3

Isomeric SMILES

CC(C(=O)NC(=O)N)SC1=NN=C(N1C2=CC=CC=C2)CN3CCCC3

InChI

InChI=1S/C17H22N6O2S/c1-12(15(24)19-16(18)25)26-17-21-20-14(11-22-9-5-6-10-22)23(17)13-7-3-2-4-8-13/h2-4,7-8,12H,5-6,9-11H2,1H3,(H3,18,19,24,25)