2-[[(5-chloranylthiophen-2-yl)methyl-prop-2-enyl-amino]methyl]-4-thiophen-2-yl-phthalazin-1-one

Systemtic Name: 2-[[(5-chloranylthiophen-2-yl)methyl-prop-2-enyl-amino]methyl]-4-thiophen-2-yl-phthalazin-1-one Openeye Name: 2-[[allyl-[(5-chloro-2-thienyl)methyl]amino]methyl]-4-(2-thienyl)phthalazin-1-one CAS Name: 2-[[(5-chloro-2-thiophenyl)methyl-prop-2-enylamino]methyl]-4-thiophen-2-yl-1-phthalazinone IUPAC Name: 2-[[(5-chlorothiophen-2-yl)methyl-prop-2-enylamino]methyl]-4-thiophen-2-ylphthalazin-1-one Traditional Name: 2-[[allyl-[(5-chloro-2-thienyl)methyl]amino]methyl]-4-(2-thienyl)phthalazin-1-one Formula: C21H18ClN3OS2 MolecularWeight: 427.97012

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN(CC1=CC=C(S1)Cl)CN2C(=O)C3=CC=CC=C3C(=N2)C4=CC=CS4

Isomeric SMILES

C=CCN(CC1=CC=C(S1)Cl)CN2C(=O)C3=CC=CC=C3C(=N2)C4=CC=CS4

InChI

InChI=1S/C21H18ClN3OS2/c1-2-11-24(13-15-9-10-19(22)28-15)14-25-21(26)17-7-4-3-6-16(17)20(23-25)18-8-5-12-27-18/h2-10,12H,1,11,13-14H2