2-[5-[(E)-3-phenylprop-2-enyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]pyrazine

Systemtic Name: 2-[5-[(E)-3-phenylprop-2-enyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]pyrazine Openeye Name: 2-[4-allyl-5-[(E)-cinnamyl]sulfanyl-1,2,4-triazol-3-yl]pyrazine CAS Name: 2-[5-[[(E)-3-phenylprop-2-enyl]thio]-4-prop-2-enyl-1,2,4-triazol-3-yl]pyrazine IUPAC Name: 2-[5-[(E)-3-phenylprop-2-enyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]pyrazine Traditional Name: 2-[4-allyl-5-[[(E)-cinnamyl]thio]-1,2,4-triazol-3-yl]pyrazine Formula: C18H17N5S MolecularWeight: 335.42608

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC=CC2=CC=CC=C2)C3=NC=CN=C3

Isomeric SMILES

C=CCN1C(=NN=C1SC/C=C/C2=CC=CC=C2)C3=NC=CN=C3

InChI

InChI=1S/C18H17N5S/c1-2-12-23-17(16-14-19-10-11-20-16)21-22-18(23)24-13-6-9-15-7-4-3-5-8-15/h2-11,14H,1,12-13H2/b9-6+