N-[2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethyl]ethanamide

Systemtic Name: N-[2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethyl]ethanamide Openeye Name: N-[2-[[4-allyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]acetamide CAS Name: N-[2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]ethyl]acetamide IUPAC Name: N-[2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethyl]acetamide Traditional Name: N-[2-[[4-allyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]ethyl]acetamide Formula: C14H17N5OS MolecularWeight: 303.38268

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCSC1=NN=C(N1CC=C)C2=CC=NC=C2

Isomeric SMILES

CC(=O)NCCSC1=NN=C(N1CC=C)C2=CC=NC=C2

InChI

InChI=1S/C14H17N5OS/c1-3-9-19-13(12-4-6-15-7-5-12)17-18-14(19)21-10-8-16-11(2)20/h3-7H,1,8-10H2,2H3,(H,16,20)