[2-chloranyl-4-(pyrimidin-5-ylamino)phenyl]-(2-methylphenyl)methanethione

Systemtic Name: [2-chloranyl-4-(pyrimidin-5-ylamino)phenyl]-(2-methylphenyl)methanethione Openeye Name: [2-chloro-4-(pyrimidin-5-ylamino)phenyl]-(o-tolyl)methanethione CAS Name: [2-chloro-4-(5-pyrimidinylamino)phenyl]-(2-methylphenyl)methanethione IUPAC Name: [2-chloro-4-(pyrimidin-5-ylamino)phenyl]-(2-methylphenyl)methanethione Traditional Name: [2-chloro-4-(5-pyrimidylamino)phenyl]-(o-tolyl)methanethione Formula: C18H14ClN3S MolecularWeight: 339.84186

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=S)C2=C(C=C(C=C2)NC3=CN=CN=C3)Cl

Isomeric SMILES

CC1=CC=CC=C1C(=S)C2=C(C=C(C=C2)NC3=CN=CN=C3)Cl

InChI

InChI=1S/C18H14ClN3S/c1-12-4-2-3-5-15(12)18(23)16-7-6-13(8-17(16)19)22-14-9-20-11-21-10-14/h2-11,22H,1H3