N-[1,1-bis(oxidanylidene)thian-4-yl]-4-methyl-phthalazin-1-amine

Systemtic Name: N-[1,1-bis(oxidanylidene)thian-4-yl]-4-methyl-phthalazin-1-amine Openeye Name: N-(1,1-dioxothian-4-yl)-4-methyl-phthalazin-1-amine CAS Name: N-(1,1-dioxo-4-thianyl)-4-methyl-1-phthalazinamine IUPAC Name: N-(1,1-dioxothian-4-yl)-4-methylphthalazin-1-amine Traditional Name: (1,1-diketothian-4-yl)-(4-methylphthalazin-1-yl)amine Formula: C14H17N3O2S MolecularWeight: 291.36868

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(C2=CC=CC=C12)NC3CCS(=O)(=O)CC3

Isomeric SMILES

CC1=NN=C(C2=CC=CC=C12)NC3CCS(=O)(=O)CC3

InChI

InChI=1S/C14H17N3O2S/c1-10-12-4-2-3-5-13(12)14(17-16-10)15-11-6-8-20(18,19)9-7-11/h2-5,11H,6-9H2,1H3,(H,15,17)