3-oxidanylidene-1-[5-(phenylmethylsulfanyl)pyrazin-2-yl]carbonyl-2H-indazole-5-carbonitrile

Systemtic Name: 3-oxidanylidene-1-[5-(phenylmethylsulfanyl)pyrazin-2-yl]carbonyl-2H-indazole-5-carbonitrile Openeye Name: 1-(5-benzylsulfanylpyrazine-2-carbonyl)-3-oxo-2H-indazole-5-carbonitrile CAS Name: 3-oxo-1-[oxo-[5-(phenylmethylthio)-2-pyrazinyl]methyl]-2H-indazole-5-carbonitrile IUPAC Name: 1-(5-benzylsulfanylpyrazine-2-carbonyl)-3-oxo-2H-indazole-5-carbonitrile Traditional Name: 1-[5-(benzylthio)pyrazinoyl]-3-keto-indazoline-5-carbonitrile Formula: C20H13N5O2S MolecularWeight: 387.41452

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NC=C(N=C2)C(=O)N3C4=C(C=C(C=C4)C#N)C(=O)N3

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NC=C(N=C2)C(=O)N3C4=C(C=C(C=C4)C#N)C(=O)N3

InChI

InChI=1S/C20H13N5O2S/c21-9-14-6-7-17-15(8-14)19(26)24-25(17)20(27)16-10-23-18(11-22-16)28-12-13-4-2-1-3-5-13/h1-8,10-11H,12H2,(H,24,26)