4-azanyl-2-[(4-pyrazol-1-ylphenyl)methylsulfanyl]pyrimidine-5-carbonitrile

Systemtic Name: 4-azanyl-2-[(4-pyrazol-1-ylphenyl)methylsulfanyl]pyrimidine-5-carbonitrile Openeye Name: 4-amino-2-[(4-pyrazol-1-ylphenyl)methylsulfanyl]pyrimidine-5-carbonitrile CAS Name: 4-amino-2-[[4-(1-pyrazolyl)phenyl]methylthio]-5-pyrimidinecarbonitrile IUPAC Name: 4-amino-2-[(4-pyrazol-1-ylphenyl)methylsulfanyl]pyrimidine-5-carbonitrile Traditional Name: 4-amino-2-[(4-pyrazol-1-ylbenzyl)thio]pyrimidine-5-carbonitrile Formula: C15H12N6S MolecularWeight: 308.36098

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H12N6S/c16-8-12-9-18-15(20-14(12)17)22-10-11-2-4-13(5-3-11)21-7-1-6-19-21/h1-7,9H,10H2,(H2,17,18,20)