N-(2,3-dimethylphenyl)-2-[4-(prop-2-enylamino)phthalazin-1-yl]sulfanyl-ethanamide

Systemtic Name: N-(2,3-dimethylphenyl)-2-[4-(prop-2-enylamino)phthalazin-1-yl]sulfanyl-ethanamide Openeye Name: 2-[4-(allylamino)phthalazin-1-yl]sulfanyl-N-(2,3-dimethylphenyl)acetamide CAS Name: N-(2,3-dimethylphenyl)-2-[[4-(prop-2-enylamino)-1-phthalazinyl]thio]acetamide IUPAC Name: N-(2,3-dimethylphenyl)-2-[4-(prop-2-enylamino)phthalazin-1-yl]sulfanylacetamide Traditional Name: 2-[[4-(allylamino)phthalazin-1-yl]thio]-N-(2,3-dimethylphenyl)acetamide Formula: C21H22N4OS MolecularWeight: 378.49058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)CSC2=NN=C(C3=CC=CC=C32)NCC=C)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)CSC2=NN=C(C3=CC=CC=C32)NCC=C)C

InChI

InChI=1S/C21H22N4OS/c1-4-12-22-20-16-9-5-6-10-17(16)21(25-24-20)27-13-19(26)23-18-11-7-8-14(2)15(18)3/h4-11H,1,12-13H2,2-3H3,(H,22,24)(H,23,26)