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

Systemtic Name: 4-azanyl-2-[(3-cyanophenyl)methylsulfanyl]pyrimidine-5-carbonitrile Openeye Name: 4-amino-2-[(3-cyanophenyl)methylsulfanyl]pyrimidine-5-carbonitrile CAS Name: 4-amino-2-[(3-cyanophenyl)methylthio]-5-pyrimidinecarbonitrile IUPAC Name: 4-amino-2-[(3-cyanophenyl)methylsulfanyl]pyrimidine-5-carbonitrile Traditional Name: 4-amino-2-[(3-cyanobenzyl)thio]pyrimidine-5-carbonitrile Formula: C13H9N5S MolecularWeight: 267.30906

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CSC2=NC=C(C(=N2)N)C#N)C#N

Isomeric SMILES

C1=CC(=CC(=C1)CSC2=NC=C(C(=N2)N)C#N)C#N

InChI

InChI=1S/C13H9N5S/c14-5-9-2-1-3-10(4-9)8-19-13-17-7-11(6-15)12(16)18-13/h1-4,7H,8H2,(H2,16,17,18)