2-(phenylmethylsulfanyl)-3a,4,5,6-tetrahydro-1H-perimidine

Systemtic Name: 2-(phenylmethylsulfanyl)-3a,4,5,6-tetrahydro-1H-perimidine Openeye Name: 2-benzylsulfanyl-3a,4,5,6-tetrahydro-1H-perimidine CAS Name: 2-(phenylmethylthio)-3a,4,5,6-tetrahydro-1H-perimidine IUPAC Name: 2-benzylsulfanyl-3a,4,5,6-tetrahydro-1H-perimidine Traditional Name: 2-(benzylthio)-3a,4,5,6-tetrahydro-1H-perimidine Formula: C18H18N2S MolecularWeight: 294.41392

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2C3=C(C1)C=CC=C3NC(=N2)SCC4=CC=CC=C4

Isomeric SMILES

C1CC2C3=C(C1)C=CC=C3NC(=N2)SCC4=CC=CC=C4

InChI

InChI=1S/C18H18N2S/c1-2-6-13(7-3-1)12-21-18-19-15-10-4-8-14-9-5-11-16(20-18)17(14)15/h1-4,6-8,10,16H,5,9,11-12H2,(H,19,20)