3-chloranyl-4-(2-methoxyphenyl)-1-[3-(phenothiazin-10-ylmethyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]azetidin-2-one

Systemtic Name: 3-chloranyl-4-(2-methoxyphenyl)-1-[3-(phenothiazin-10-ylmethyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]azetidin-2-one Openeye Name: 3-chloro-4-(2-methoxyphenyl)-1-[3-(phenothiazin-10-ylmethyl)-5-thioxo-1H-1,2,4-triazol-4-yl]azetidin-2-one CAS Name: 3-chloro-4-(2-methoxyphenyl)-1-[3-(10-phenothiazinylmethyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-2-azetidinone IUPAC Name: 3-chloro-4-(2-methoxyphenyl)-1-[3-(phenothiazin-10-ylmethyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]azetidin-2-one Traditional Name: 3-chloro-4-(2-methoxyphenyl)-1-[3-(phenothiazin-10-ylmethyl)-5-thioxo-1H-1,2,4-triazol-4-yl]azetidin-2-one Formula: C25H20ClN5O2S2 MolecularWeight: 522.0416

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2C(C(=O)N2N3C(=NNC3=S)CN4C5=CC=CC=C5SC6=CC=CC=C64)Cl

Isomeric SMILES

COC1=CC=CC=C1C2C(C(=O)N2N3C(=NNC3=S)CN4C5=CC=CC=C5SC6=CC=CC=C64)Cl

InChI

InChI=1S/C25H20ClN5O2S2/c1-33-18-11-5-2-8-15(18)23-22(26)24(32)31(23)30-21(27-28-25(30)34)14-29-16-9-3-6-12-19(16)35-20-13-7-4-10-17(20)29/h2-13,22-23H,14H2,1H3,(H,28,34)