[2-(2-chloranylphenothiazin-10-yl)-2-oxidanylidene-ethyl] 2-(1,2,4-triazol-1-yl)ethanoate

Systemtic Name: [2-(2-chloranylphenothiazin-10-yl)-2-oxidanylidene-ethyl] 2-(1,2,4-triazol-1-yl)ethanoate Openeye Name: [2-(2-chlorophenothiazin-10-yl)-2-oxo-ethyl] 2-(1,2,4-triazol-1-yl)acetate CAS Name: 2-(1,2,4-triazol-1-yl)acetic acid [2-(2-chloro-10-phenothiazinyl)-2-oxoethyl] ester IUPAC Name: [2-(2-chlorophenothiazin-10-yl)-2-oxoethyl] 2-(1,2,4-triazol-1-yl)acetate Traditional Name: 2-(1,2,4-triazol-1-yl)acetic acid [2-(2-chlorophenothiazin-10-yl)-2-keto-ethyl] ester Formula: C18H13ClN4O3S MolecularWeight: 400.83882

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N(C3=C(S2)C=CC(=C3)Cl)C(=O)COC(=O)CN4C=NC=N4

Isomeric SMILES

C1=CC=C2C(=C1)N(C3=C(S2)C=CC(=C3)Cl)C(=O)COC(=O)CN4C=NC=N4

InChI

InChI=1S/C18H13ClN4O3S/c19-12-5-6-16-14(7-12)23(13-3-1-2-4-15(13)27-16)17(24)9-26-18(25)8-22-11-20-10-21-22/h1-7,10-11H,8-9H2