[4-[(5-chloranyl-6-methylsulfanyl-pyrimidin-4-yl)-ethyl-amino]phenyl]-(4-methylphenyl)methanethione

Systemtic Name: [4-[(5-chloranyl-6-methylsulfanyl-pyrimidin-4-yl)-ethyl-amino]phenyl]-(4-methylphenyl)methanethione Openeye Name: [4-[(5-chloro-6-methylsulfanyl-pyrimidin-4-yl)-ethyl-amino]phenyl]-(p-tolyl)methanethione CAS Name: [4-[[5-chloro-6-(methylthio)-4-pyrimidinyl]-ethylamino]phenyl]-(4-methylphenyl)methanethione IUPAC Name: [4-[(5-chloro-6-methylsulfanylpyrimidin-4-yl)-ethylamino]phenyl]-(4-methylphenyl)methanethione Traditional Name: [4-[[5-chloro-6-(methylthio)pyrimidin-4-yl]-ethyl-amino]phenyl]-(p-tolyl)methanethione Formula: C21H20ClN3S2 MolecularWeight: 413.9866

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=C(C=C1)C(=S)C2=CC=C(C=C2)C)C3=C(C(=NC=N3)SC)Cl

Isomeric SMILES

CCN(C1=CC=C(C=C1)C(=S)C2=CC=C(C=C2)C)C3=C(C(=NC=N3)SC)Cl

InChI

InChI=1S/C21H20ClN3S2/c1-4-25(20-18(22)21(27-3)24-13-23-20)17-11-9-16(10-12-17)19(26)15-7-5-14(2)6-8-15/h5-13H,4H2,1-3H3