4-azanyl-2-[(4-chlorophenyl)methylsulfanyl]pyrimidine-5-carbonitrile

Systemtic Name: 4-azanyl-2-[(4-chlorophenyl)methylsulfanyl]pyrimidine-5-carbonitrile Openeye Name: 4-amino-2-[(4-chlorophenyl)methylsulfanyl]pyrimidine-5-carbonitrile CAS Name: 4-amino-2-[(4-chlorophenyl)methylthio]-5-pyrimidinecarbonitrile IUPAC Name: 4-amino-2-[(4-chlorophenyl)methylsulfanyl]pyrimidine-5-carbonitrile Traditional Name: 4-amino-2-[(4-chlorobenzyl)thio]pyrimidine-5-carbonitrile Formula: C12H9ClN4S MolecularWeight: 276.74466

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H9ClN4S/c13-10-3-1-8(2-4-10)7-18-12-16-6-9(5-14)11(15)17-12/h1-4,6H,7H2,(H2,15,16,17)