2-[2-[4-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]ethyl]phthalazin-1-one

Systemtic Name: 2-[2-[4-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]ethyl]phthalazin-1-one Openeye Name: 2-[2-[4-(4-methoxyphenyl)-5-thioxo-1H-1,2,4-triazol-3-yl]ethyl]phthalazin-1-one CAS Name: 2-[2-[4-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]ethyl]-1-phthalazinone IUPAC Name: 2-[2-[4-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]ethyl]phthalazin-1-one Traditional Name: 2-[2-[4-(4-methoxyphenyl)-5-thioxo-1H-1,2,4-triazol-3-yl]ethyl]phthalazin-1-one Formula: C19H17N5O2S MolecularWeight: 379.43558

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=NNC2=S)CCN3C(=O)C4=CC=CC=C4C=N3

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=NNC2=S)CCN3C(=O)C4=CC=CC=C4C=N3

InChI

InChI=1S/C19H17N5O2S/c1-26-15-8-6-14(7-9-15)24-17(21-22-19(24)27)10-11-23-18(25)16-5-3-2-4-13(16)12-20-23/h2-9,12H,10-11H2,1H3,(H,22,27)