2-[4-(4-methoxyphenyl)-5-(3-phenylprop-2-enylsulfanyl)-1,2,4-triazol-3-yl]pyrazine

Systemtic Name: 2-[4-(4-methoxyphenyl)-5-(3-phenylprop-2-enylsulfanyl)-1,2,4-triazol-3-yl]pyrazine Openeye Name: 2-[5-cinnamylsulfanyl-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]pyrazine CAS Name: 2-[4-(4-methoxyphenyl)-5-(3-phenylprop-2-enylthio)-1,2,4-triazol-3-yl]pyrazine IUPAC Name: 2-[4-(4-methoxyphenyl)-5-(3-phenylprop-2-enylsulfanyl)-1,2,4-triazol-3-yl]pyrazine Traditional Name: 2-[5-(cinnamylthio)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]pyrazine Formula: C22H19N5OS MolecularWeight: 401.48416

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=NN=C2SCC=CC3=CC=CC=C3)C4=NC=CN=C4

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=NN=C2SCC=CC3=CC=CC=C3)C4=NC=CN=C4

InChI

InChI=1S/C22H19N5OS/c1-28-19-11-9-18(10-12-19)27-21(20-16-23-13-14-24-20)25-26-22(27)29-15-5-8-17-6-3-2-4-7-17/h2-14,16H,15H2,1H3