2-[5-(oxan-2-ylmethylsulfanyl)-4-phenyl-1,2,4-triazol-3-yl]pyrazine

Systemtic Name: 2-[5-(oxan-2-ylmethylsulfanyl)-4-phenyl-1,2,4-triazol-3-yl]pyrazine Openeye Name: 2-[4-phenyl-5-(tetrahydropyran-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]pyrazine CAS Name: 2-[5-(2-oxanylmethylthio)-4-phenyl-1,2,4-triazol-3-yl]pyrazine IUPAC Name: 2-[5-(oxan-2-ylmethylsulfanyl)-4-phenyl-1,2,4-triazol-3-yl]pyrazine Traditional Name: 2-[4-phenyl-5-(tetrahydropyran-2-ylmethylthio)-1,2,4-triazol-3-yl]pyrazine Formula: C18H19N5OS MolecularWeight: 353.44136

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Descriptors Computed from Structure

Canonical SMILES:

C1CCOC(C1)CSC2=NN=C(N2C3=CC=CC=C3)C4=NC=CN=C4

Isomeric SMILES

C1CCOC(C1)CSC2=NN=C(N2C3=CC=CC=C3)C4=NC=CN=C4

InChI

InChI=1S/C18H19N5OS/c1-2-6-14(7-3-1)23-17(16-12-19-9-10-20-16)21-22-18(23)25-13-15-8-4-5-11-24-15/h1-3,6-7,9-10,12,15H,4-5,8,11,13H2