4-azanyl-2-[(1,3-diphenylpyrazol-4-yl)methylsulfanyl]pyrimidine-5-carbonitrile

Systemtic Name: 4-azanyl-2-[(1,3-diphenylpyrazol-4-yl)methylsulfanyl]pyrimidine-5-carbonitrile Openeye Name: 4-amino-2-[(1,3-diphenylpyrazol-4-yl)methylsulfanyl]pyrimidine-5-carbonitrile CAS Name: 4-amino-2-[(1,3-diphenyl-4-pyrazolyl)methylthio]-5-pyrimidinecarbonitrile IUPAC Name: 4-amino-2-[(1,3-diphenylpyrazol-4-yl)methylsulfanyl]pyrimidine-5-carbonitrile Traditional Name: 4-amino-2-[(1,3-diphenylpyrazol-4-yl)methylthio]pyrimidine-5-carbonitrile Formula: C21H16N6S MolecularWeight: 384.45694

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C=C2CSC3=NC=C(C(=N3)N)C#N)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C=C2CSC3=NC=C(C(=N3)N)C#N)C4=CC=CC=C4

InChI

InChI=1S/C21H16N6S/c22-11-16-12-24-21(25-20(16)23)28-14-17-13-27(18-9-5-2-6-10-18)26-19(17)15-7-3-1-4-8-15/h1-10,12-13H,14H2,(H2,23,24,25)