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

Systemtic Name: 7-bromanyl-2-(phenylmethylsulfanyl)-3a,4,5,6-tetrahydro-1H-perimidine Openeye Name: 2-benzylsulfanyl-7-bromo-3a,4,5,6-tetrahydro-1H-perimidine CAS Name: 7-bromo-2-(phenylmethylthio)-3a,4,5,6-tetrahydro-1H-perimidine IUPAC Name: 2-benzylsulfanyl-7-bromo-3a,4,5,6-tetrahydro-1H-perimidine Traditional Name: 2-(benzylthio)-7-bromo-3a,4,5,6-tetrahydro-1H-perimidine Formula: C18H17BrN2S MolecularWeight: 373.30998

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2C3=C(C=CC(=C3C1)Br)NC(=N2)SCC4=CC=CC=C4

Isomeric SMILES

C1CC2C3=C(C=CC(=C3C1)Br)NC(=N2)SCC4=CC=CC=C4

InChI

InChI=1S/C18H17BrN2S/c19-14-9-10-16-17-13(14)7-4-8-15(17)20-18(21-16)22-11-12-5-2-1-3-6-12/h1-3,5-6,9-10,15H,4,7-8,11H2,(H,20,21)