2-azanyl-3-(4-methylphenyl)sulfonyl-1-prop-2-enyl-6H-pyrrolo[2,3-d]pyridazin-7-one

Systemtic Name: 2-azanyl-3-(4-methylphenyl)sulfonyl-1-prop-2-enyl-6H-pyrrolo[2,3-d]pyridazin-7-one Openeye Name: 1-allyl-2-amino-3-(p-tolylsulfonyl)-6H-pyrrolo[2,3-d]pyridazin-7-one CAS Name: 2-amino-3-(4-methylphenyl)sulfonyl-1-prop-2-enyl-6H-pyrrolo[2,3-d]pyridazin-7-one IUPAC Name: 2-amino-3-(4-methylphenyl)sulfonyl-1-prop-2-enyl-6H-pyrrolo[2,3-d]pyridazin-7-one Traditional Name: 1-allyl-2-amino-3-tosyl-6H-pyrrolo[2,3-d]pyridazin-7-one Formula: C16H16N4O3S MolecularWeight: 344.38824

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=C(N(C3=C2C=NNC3=O)CC=C)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=C(N(C3=C2C=NNC3=O)CC=C)N

InChI

InChI=1S/C16H16N4O3S/c1-3-8-20-13-12(9-18-19-16(13)21)14(15(20)17)24(22,23)11-6-4-10(2)5-7-11/h3-7,9H,1,8,17H2,2H3,(H,19,21)