2,4-bis(phenylmethylsulfanyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indole

Systemtic Name: 2,4-bis(phenylmethylsulfanyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indole Openeye Name: 2,4-bis(benzylsulfanyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indole CAS Name: 2,4-bis(phenylmethylthio)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indole IUPAC Name: 2,4-bis(benzylsulfanyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indole Traditional Name: 2,4-bis(benzylthio)-6,7,8,9-tetrahydro-5H-pyrimid[4,5-b]indole Formula: C24H23N3S2 MolecularWeight: 417.58952

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C3=C(N2)N=C(N=C3SCC4=CC=CC=C4)SCC5=CC=CC=C5

Isomeric SMILES

C1CCC2=C(C1)C3=C(N2)N=C(N=C3SCC4=CC=CC=C4)SCC5=CC=CC=C5

InChI

InChI=1S/C24H23N3S2/c1-3-9-17(10-4-1)15-28-23-21-19-13-7-8-14-20(19)25-22(21)26-24(27-23)29-16-18-11-5-2-6-12-18/h1-6,9-12H,7-8,13-16H2,(H,25,26,27)