4-azanyl-2-[(3,4-dichlorophenyl)methylsulfanyl]pyrimidine-5-carbonitrile

Systemtic Name: 4-azanyl-2-[(3,4-dichlorophenyl)methylsulfanyl]pyrimidine-5-carbonitrile Openeye Name: 4-amino-2-[(3,4-dichlorophenyl)methylsulfanyl]pyrimidine-5-carbonitrile CAS Name: 4-amino-2-[(3,4-dichlorophenyl)methylthio]-5-pyrimidinecarbonitrile IUPAC Name: 4-amino-2-[(3,4-dichlorophenyl)methylsulfanyl]pyrimidine-5-carbonitrile Traditional Name: 4-amino-2-[(3,4-dichlorobenzyl)thio]pyrimidine-5-carbonitrile Formula: C12H8Cl2N4S MolecularWeight: 311.18972

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1CSC2=NC=C(C(=N2)N)C#N)Cl)Cl

Isomeric SMILES

C1=CC(=C(C=C1CSC2=NC=C(C(=N2)N)C#N)Cl)Cl

InChI

InChI=1S/C12H8Cl2N4S/c13-9-2-1-7(3-10(9)14)6-19-12-17-5-8(4-15)11(16)18-12/h1-3,5H,6H2,(H2,16,17,18)