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

Systemtic Name: 2-[4-(4-methylphenyl)-5-(3-phenylprop-2-enylsulfanyl)-1,2,4-triazol-3-yl]pyrazine Openeye Name: 2-[5-cinnamylsulfanyl-4-(p-tolyl)-1,2,4-triazol-3-yl]pyrazine CAS Name: 2-[4-(4-methylphenyl)-5-(3-phenylprop-2-enylthio)-1,2,4-triazol-3-yl]pyrazine IUPAC Name: 2-[4-(4-methylphenyl)-5-(3-phenylprop-2-enylsulfanyl)-1,2,4-triazol-3-yl]pyrazine Traditional Name: 2-[5-(cinnamylthio)-4-(p-tolyl)-1,2,4-triazol-3-yl]pyrazine Formula: C22H19N5S MolecularWeight: 385.48476

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SCC=CC3=CC=CC=C3)C4=NC=CN=C4

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SCC=CC3=CC=CC=C3)C4=NC=CN=C4

InChI

InChI=1S/C22H19N5S/c1-17-9-11-19(12-10-17)27-21(20-16-23-13-14-24-20)25-26-22(27)28-15-5-8-18-6-3-2-4-7-18/h2-14,16H,15H2,1H3