5-chloranyl-6-octylsulfanyl-3-[(phenylmethyl)iminomethyl]pyrazin-2-amine

Systemtic Name: 5-chloranyl-6-octylsulfanyl-3-[(phenylmethyl)iminomethyl]pyrazin-2-amine Openeye Name: 3-(benzyliminomethyl)-5-chloro-6-octylsulfanyl-pyrazin-2-amine CAS Name: 5-chloro-6-(octylthio)-3-[(phenylmethyl)iminomethyl]-2-pyrazinamine IUPAC Name: 3-(benzyliminomethyl)-5-chloro-6-octylsulfanylpyrazin-2-amine Traditional Name: [3-(benzyliminomethyl)-5-chloro-6-(octylthio)pyrazin-2-yl]amine Formula: C20H27ClN4S MolecularWeight: 390.97318

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCSC1=NC(=C(N=C1Cl)C=NCC2=CC=CC=C2)N

Isomeric SMILES

CCCCCCCCSC1=NC(=C(N=C1Cl)C=NCC2=CC=CC=C2)N

InChI

InChI=1S/C20H27ClN4S/c1-2-3-4-5-6-10-13-26-20-18(21)24-17(19(22)25-20)15-23-14-16-11-8-7-9-12-16/h7-9,11-12,15H,2-6,10,13-14H2,1H3,(H2,22,25)