3-(oxan-2-ylmethylsulfanyl)-5,6-diphenyl-1,2,4-triazine

Systemtic Name: 3-(oxan-2-ylmethylsulfanyl)-5,6-diphenyl-1,2,4-triazine Openeye Name: 5,6-diphenyl-3-(tetrahydropyran-2-ylmethylsulfanyl)-1,2,4-triazine CAS Name: 3-(2-oxanylmethylthio)-5,6-diphenyl-1,2,4-triazine IUPAC Name: 3-(oxan-2-ylmethylsulfanyl)-5,6-diphenyl-1,2,4-triazine Traditional Name: 5,6-diphenyl-3-(tetrahydropyran-2-ylmethylthio)-1,2,4-triazine Formula: C21H21N3OS MolecularWeight: 363.47594

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCOC(C1)CSC2=NC(=C(N=N2)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1CCOC(C1)CSC2=NC(=C(N=N2)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C21H21N3OS/c1-3-9-16(10-4-1)19-20(17-11-5-2-6-12-17)23-24-21(22-19)26-15-18-13-7-8-14-25-18/h1-6,9-12,18H,7-8,13-15H2