3-methyl-N-[5-[(4-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: 3-methyl-N-[5-[(4-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-methyl-4-oxo-N-[5-(p-tolylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]phthalazine-1-carboxamide CAS Name: 3-methyl-N-[5-[(4-methylphenyl)methylthio]-1,3,4-thiadiazol-2-yl]-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-methyl-N-[5-[(4-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-oxophthalazine-1-carboxamide Traditional Name: 4-keto-3-methyl-N-[5-[(4-methylbenzyl)thio]-1,3,4-thiadiazol-2-yl]phthalazine-1-carboxamide Formula: C20H17N5O2S2 MolecularWeight: 423.51128

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2=NN=C(S2)NC(=O)C3=NN(C(=O)C4=CC=CC=C43)C

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=NN=C(S2)NC(=O)C3=NN(C(=O)C4=CC=CC=C43)C

InChI

InChI=1S/C20H17N5O2S2/c1-12-7-9-13(10-8-12)11-28-20-23-22-19(29-20)21-17(26)16-14-5-3-4-6-15(14)18(27)25(2)24-16/h3-10H,11H2,1-2H3,(H,21,22,26)