1-methyl-5-[4-[(E)-3-phenylprop-2-enyl]sulfanyl-1H-pyrazol-5-yl]-3,6-dihydro-2H-pyridine

Systemtic Name: 1-methyl-5-[4-[(E)-3-phenylprop-2-enyl]sulfanyl-1H-pyrazol-5-yl]-3,6-dihydro-2H-pyridine Openeye Name: 5-[4-[(E)-cinnamyl]sulfanyl-1H-pyrazol-5-yl]-1-methyl-3,6-dihydro-2H-pyridine CAS Name: 1-methyl-5-[4-[[(E)-3-phenylprop-2-enyl]thio]-1H-pyrazol-5-yl]-3,6-dihydro-2H-pyridine IUPAC Name: 1-methyl-5-[4-[(E)-3-phenylprop-2-enyl]sulfanyl-1H-pyrazol-5-yl]-3,6-dihydro-2H-pyridine Traditional Name: 5-[4-[[(E)-cinnamyl]thio]-1H-pyrazol-5-yl]-1-methyl-3,6-dihydro-2H-pyridine Formula: C18H21N3S MolecularWeight: 311.44444

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC=C(C1)C2=C(C=NN2)SCC=CC3=CC=CC=C3

Isomeric SMILES

CN1CCC=C(C1)C2=C(C=NN2)SC/C=C/C3=CC=CC=C3

InChI

InChI=1S/C18H21N3S/c1-21-11-5-10-16(14-21)18-17(13-19-20-18)22-12-6-9-15-7-3-2-4-8-15/h2-4,6-10,13H,5,11-12,14H2,1H3,(H,19,20)/b9-6+