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

Systemtic Name: 2-[4-(furan-2-ylmethyl)-5-(3-phenylprop-2-enylsulfanyl)-1,2,4-triazol-3-yl]pyrazine Openeye Name: 2-[5-cinnamylsulfanyl-4-(2-furylmethyl)-1,2,4-triazol-3-yl]pyrazine CAS Name: 2-[4-(2-furanylmethyl)-5-(3-phenylprop-2-enylthio)-1,2,4-triazol-3-yl]pyrazine IUPAC Name: 2-[4-(furan-2-ylmethyl)-5-(3-phenylprop-2-enylsulfanyl)-1,2,4-triazol-3-yl]pyrazine Traditional Name: 2-[5-(cinnamylthio)-4-(2-furfuryl)-1,2,4-triazol-3-yl]pyrazine Formula: C20H17N5OS MolecularWeight: 375.44688

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C=CCSC2=NN=C(N2CC3=CC=CO3)C4=NC=CN=C4

Isomeric SMILES

C1=CC=C(C=C1)C=CCSC2=NN=C(N2CC3=CC=CO3)C4=NC=CN=C4

InChI

InChI=1S/C20H17N5OS/c1-2-6-16(7-3-1)8-5-13-27-20-24-23-19(18-14-21-10-11-22-18)25(20)15-17-9-4-12-26-17/h1-12,14H,13,15H2