1-(4-methylphenyl)-4-propan-2-yl-7-prop-2-ynylsulfanyl-pyrazolo[3,4-d]pyridazine

Systemtic Name: 1-(4-methylphenyl)-4-propan-2-yl-7-prop-2-ynylsulfanyl-pyrazolo[3,4-d]pyridazine Openeye Name: 4-isopropyl-7-prop-2-ynylsulfanyl-1-(p-tolyl)pyrazolo[3,4-d]pyridazine CAS Name: 1-(4-methylphenyl)-4-propan-2-yl-7-(prop-2-ynylthio)pyrazolo[3,4-d]pyridazine IUPAC Name: 1-(4-methylphenyl)-4-propan-2-yl-7-prop-2-ynylsulfanylpyrazolo[3,4-d]pyridazine Traditional Name: 4-isopropyl-7-(propargylthio)-1-(p-tolyl)pyrazolo[3,4-d]pyridazine Formula: C18H18N4S MolecularWeight: 322.42732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C3=C(C=N2)C(=NN=C3SCC#C)C(C)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C3=C(C=N2)C(=NN=C3SCC#C)C(C)C

InChI

InChI=1S/C18H18N4S/c1-5-10-23-18-17-15(16(12(2)3)20-21-18)11-19-22(17)14-8-6-13(4)7-9-14/h1,6-9,11-12H,10H2,2-4H3