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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2C(C(=O)N2N3C(=NNC3=S)CN4C5=CC=CC=C5SC6=CC=CC=C64)Cl

Isomeric SMILES

COC1=CC=C(C=C1)C2C(C(=O)N2N3C(=NNC3=S)CN4C5=CC=CC=C5SC6=CC=CC=C64)Cl

InChI

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