4-oxidanylidene-N-[5-(phenylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]-3H-phthalazine-1-carboxamide

Systemtic Name: 4-oxidanylidene-N-[5-(phenylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]-3H-phthalazine-1-carboxamide Openeye Name: N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-4-oxo-3H-phthalazine-1-carboxamide CAS Name: 4-oxo-N-[5-(phenylmethylthio)-1,3,4-thiadiazol-2-yl]-3H-phthalazine-1-carboxamide IUPAC Name: N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-4-oxo-3H-phthalazine-1-carboxamide Traditional Name: N-[5-(benzylthio)-1,3,4-thiadiazol-2-yl]-4-keto-3H-phthalazine-1-carboxamide Formula: C18H13N5O2S2 MolecularWeight: 395.45812

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H13N5O2S2/c24-15-13-9-5-4-8-12(13)14(20-21-15)16(25)19-17-22-23-18(27-17)26-10-11-6-2-1-3-7-11/h1-9H,10H2,(H,21,24)(H,19,22,25)