2-[5-[(3-methoxyphenyl)methylsulfanyl]-4-(4-methylphenyl)-1,2,4-triazol-3-yl]pyrazine

Systemtic Name: 2-[5-[(3-methoxyphenyl)methylsulfanyl]-4-(4-methylphenyl)-1,2,4-triazol-3-yl]pyrazine Openeye Name: 2-[5-[(3-methoxyphenyl)methylsulfanyl]-4-(p-tolyl)-1,2,4-triazol-3-yl]pyrazine CAS Name: 2-[5-[(3-methoxyphenyl)methylthio]-4-(4-methylphenyl)-1,2,4-triazol-3-yl]pyrazine IUPAC Name: 2-[5-[(3-methoxyphenyl)methylsulfanyl]-4-(4-methylphenyl)-1,2,4-triazol-3-yl]pyrazine Traditional Name: 2-[5-(m-anisylthio)-4-(p-tolyl)-1,2,4-triazol-3-yl]pyrazine Formula: C21H19N5OS MolecularWeight: 389.47346

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC(=CC=C3)OC)C4=NC=CN=C4

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC(=CC=C3)OC)C4=NC=CN=C4

InChI

InChI=1S/C21H19N5OS/c1-15-6-8-17(9-7-15)26-20(19-13-22-10-11-23-19)24-25-21(26)28-14-16-4-3-5-18(12-16)27-2/h3-13H,14H2,1-2H3