O-[3-chloranyl-4-[3,6-diethyl-5-(pentan-3-ylamino)pyrazin-2-yl]phenyl] propylsulfanylmethanethioate

Systemtic Name: O-[3-chloranyl-4-[3,6-diethyl-5-(pentan-3-ylamino)pyrazin-2-yl]phenyl] propylsulfanylmethanethioate Openeye Name: O-[3-chloro-4-[3,6-diethyl-5-(1-ethylpropylamino)pyrazin-2-yl]phenyl] propylsulfanylmethanethioate CAS Name: (propylthio)methanethioic acid O-[3-chloro-4-[3,6-diethyl-5-(pentan-3-ylamino)-2-pyrazinyl]phenyl] ester IUPAC Name: O-[3-chloro-4-[3,6-diethyl-5-(pentan-3-ylamino)pyrazin-2-yl]phenyl] propylsulfanylmethanethioate Traditional Name: (propylthio)methanethioic acid O-[3-chloro-4-[3,6-diethyl-5-(1-ethylpropylamino)pyrazin-2-yl]phenyl] ester Formula: C23H32ClN3OS2 MolecularWeight: 466.10268

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC(=S)OC1=CC(=C(C=C1)C2=C(N=C(C(=N2)CC)NC(CC)CC)CC)Cl

Isomeric SMILES

CCCSC(=S)OC1=CC(=C(C=C1)C2=C(N=C(C(=N2)CC)NC(CC)CC)CC)Cl

InChI

InChI=1S/C23H32ClN3OS2/c1-6-13-30-23(29)28-16-11-12-17(18(24)14-16)21-19(9-4)27-22(20(10-5)26-21)25-15(7-2)8-3/h11-12,14-15H,6-10,13H2,1-5H3,(H,25,27)