ethyl 2-[[5-(phenothiazin-10-ylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanoate

Systemtic Name: ethyl 2-[[5-(phenothiazin-10-ylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: ethyl 2-[[5-(phenothiazin-10-ylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-(10-phenothiazinylmethyl)-1H-1,2,4-triazol-3-yl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[[5-(phenothiazin-10-ylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-(phenothiazin-10-ylmethyl)-1H-1,2,4-triazol-3-yl]thio]acetic acid ethyl ester Formula: C19H18N4O2S2 MolecularWeight: 398.50182

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NNC(=N1)CN2C3=CC=CC=C3SC4=CC=CC=C42

Isomeric SMILES

CCOC(=O)CSC1=NNC(=N1)CN2C3=CC=CC=C3SC4=CC=CC=C42

InChI

InChI=1S/C19H18N4O2S2/c1-2-25-18(24)12-26-19-20-17(21-22-19)11-23-13-7-3-5-9-15(13)27-16-10-6-4-8-14(16)23/h3-10H,2,11-12H2,1H3,(H,20,21,22)