N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide

Systemtic Name: N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide Openeye Name: 3-benzyl-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-4-oxo-phthalazine-1-carboxamide CAS Name: N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]-4-oxo-3-(phenylmethyl)-1-phthalazinecarboxamide IUPAC Name: 3-benzyl-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-4-oxophthalazine-1-carboxamide Traditional Name: 3-benzyl-N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]-4-keto-phthalazine-1-carboxamide Formula: C20H17N5O2S2 MolecularWeight: 423.51128

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NN=C(S1)NC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4

Isomeric SMILES

CCSC1=NN=C(S1)NC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4

InChI

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