N-[1-(phenylmethyl)pyrrolidin-3-yl]-2-prop-2-enylsulfanyl-pyridine-3-carboxamide

Systemtic Name: N-[1-(phenylmethyl)pyrrolidin-3-yl]-2-prop-2-enylsulfanyl-pyridine-3-carboxamide Openeye Name: 2-allylsulfanyl-N-(1-benzylpyrrolidin-3-yl)pyridine-3-carboxamide CAS Name: N-[1-(phenylmethyl)-3-pyrrolidinyl]-2-(prop-2-enylthio)-3-pyridinecarboxamide IUPAC Name: N-(1-benzylpyrrolidin-3-yl)-2-prop-2-enylsulfanylpyridine-3-carboxamide Traditional Name: 2-(allylthio)-N-(1-benzylpyrrolidin-3-yl)nicotinamide Formula: C20H23N3OS MolecularWeight: 353.48112

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Descriptors Computed from Structure

Canonical SMILES:

C=CCSC1=C(C=CC=N1)C(=O)NC2CCN(C2)CC3=CC=CC=C3

Isomeric SMILES

C=CCSC1=C(C=CC=N1)C(=O)NC2CCN(C2)CC3=CC=CC=C3

InChI

InChI=1S/C20H23N3OS/c1-2-13-25-20-18(9-6-11-21-20)19(24)22-17-10-12-23(15-17)14-16-7-4-3-5-8-16/h2-9,11,17H,1,10,12-15H2,(H,22,24)