N-(4-pyridin-3-ylbutyl)prop-2-enethioamide

Systemtic Name: N-(4-pyridin-3-ylbutyl)prop-2-enethioamide Openeye Name: N-[4-(3-pyridyl)butyl]prop-2-enethioamide CAS Name: N-[4-(3-pyridinyl)butyl]-2-propenethioamide IUPAC Name: N-(4-pyridin-3-ylbutyl)prop-2-enethioamide Traditional Name: N-[4-(3-pyridyl)butyl]thioacrylamide Formula: C12H16N2S MolecularWeight: 220.33384

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Descriptors Computed from Structure

Canonical SMILES:

C=CC(=S)NCCCCC1=CN=CC=C1

Isomeric SMILES

C=CC(=S)NCCCCC1=CN=CC=C1

InChI

InChI=1S/C12H16N2S/c1-2-12(15)14-9-4-3-6-11-7-5-8-13-10-11/h2,5,7-8,10H,1,3-4,6,9H2,(H,14,15)