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

Systemtic Name: 4-azanyl-2-[[4-(2-cyanophenyl)phenyl]methylsulfanyl]pyrimidine-5-carbonitrile Openeye Name: 4-amino-2-[[4-(2-cyanophenyl)phenyl]methylsulfanyl]pyrimidine-5-carbonitrile CAS Name: 4-amino-2-[[4-(2-cyanophenyl)phenyl]methylthio]-5-pyrimidinecarbonitrile IUPAC Name: 4-amino-2-[[4-(2-cyanophenyl)phenyl]methylsulfanyl]pyrimidine-5-carbonitrile Traditional Name: 4-amino-2-[[4-(2-cyanophenyl)benzyl]thio]pyrimidine-5-carbonitrile Formula: C19H13N5S MolecularWeight: 343.40502

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C#N)C2=CC=C(C=C2)CSC3=NC=C(C(=N3)N)C#N

Isomeric SMILES

C1=CC=C(C(=C1)C#N)C2=CC=C(C=C2)CSC3=NC=C(C(=N3)N)C#N

InChI

InChI=1S/C19H13N5S/c20-9-15-3-1-2-4-17(15)14-7-5-13(6-8-14)12-25-19-23-11-16(10-21)18(22)24-19/h1-8,11H,12H2,(H2,22,23,24)