5-azanyl-1-[4-cyano-1-(4-methoxyphenyl)-2,5-dihydropyrrol-3-yl]-3-methylsulfanyl-pyrazole-4-carbonitrile

Systemtic Name: 5-azanyl-1-[4-cyano-1-(4-methoxyphenyl)-2,5-dihydropyrrol-3-yl]-3-methylsulfanyl-pyrazole-4-carbonitrile Openeye Name: 5-amino-1-[4-cyano-1-(4-methoxyphenyl)-2,5-dihydropyrrol-3-yl]-3-methylsulfanyl-pyrazole-4-carbonitrile CAS Name: 5-amino-1-[4-cyano-1-(4-methoxyphenyl)-2,5-dihydropyrrol-3-yl]-3-(methylthio)-4-pyrazolecarbonitrile IUPAC Name: 5-amino-1-[4-cyano-1-(4-methoxyphenyl)-2,5-dihydropyrrol-3-yl]-3-methylsulfanylpyrazole-4-carbonitrile Traditional Name: 5-amino-1-[4-cyano-1-(4-methoxyphenyl)-3-pyrrolin-3-yl]-3-(methylthio)pyrazole-4-carbonitrile Formula: C17H16N6OS MolecularWeight: 352.41354

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CC(=C(C2)N3C(=C(C(=N3)SC)C#N)N)C#N

Isomeric SMILES

COC1=CC=C(C=C1)N2CC(=C(C2)N3C(=C(C(=N3)SC)C#N)N)C#N

InChI

InChI=1S/C17H16N6OS/c1-24-13-5-3-12(4-6-13)22-9-11(7-18)15(10-22)23-16(20)14(8-19)17(21-23)25-2/h3-6H,9-10,20H2,1-2H3