5-azanyl-1-(5,6-diphenyl-1,2,4-triazin-3-yl)-3-methylsulfanyl-pyrazole-4-carbonitrile

Systemtic Name: 5-azanyl-1-(5,6-diphenyl-1,2,4-triazin-3-yl)-3-methylsulfanyl-pyrazole-4-carbonitrile Openeye Name: 5-amino-1-(5,6-diphenyl-1,2,4-triazin-3-yl)-3-methylsulfanyl-pyrazole-4-carbonitrile CAS Name: 5-amino-1-(5,6-diphenyl-1,2,4-triazin-3-yl)-3-(methylthio)-4-pyrazolecarbonitrile IUPAC Name: 5-amino-1-(5,6-diphenyl-1,2,4-triazin-3-yl)-3-methylsulfanylpyrazole-4-carbonitrile Traditional Name: 5-amino-1-(5,6-diphenyl-1,2,4-triazin-3-yl)-3-(methylthio)pyrazole-4-carbonitrile Formula: C20H15N7S MolecularWeight: 385.445

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NN(C(=C1C#N)N)C2=NC(=C(N=N2)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CSC1=NN(C(=C1C#N)N)C2=NC(=C(N=N2)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C20H15N7S/c1-28-19-15(12-21)18(22)27(26-19)20-23-16(13-8-4-2-5-9-13)17(24-25-20)14-10-6-3-7-11-14/h2-11H,22H2,1H3