1-[2-chloranyl-5,5-bis(oxidanylidene)phenothiazin-10-yl]-4-pyrazol-1-yl-butan-1-one

Systemtic Name: 1-[2-chloranyl-5,5-bis(oxidanylidene)phenothiazin-10-yl]-4-pyrazol-1-yl-butan-1-one Openeye Name: 1-(2-chloro-5,5-dioxo-phenothiazin-10-yl)-4-pyrazol-1-yl-butan-1-one CAS Name: 1-(2-chloro-5,5-dioxo-10-phenothiazinyl)-4-(1-pyrazolyl)-1-butanone IUPAC Name: 1-(2-chloro-5,5-dioxophenothiazin-10-yl)-4-pyrazol-1-ylbutan-1-one Traditional Name: 1-(2-chloro-5,5-diketo-phenothiazin-10-yl)-4-pyrazol-1-yl-butan-1-one Formula: C19H16ClN3O3S MolecularWeight: 401.86664

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N(C3=C(S2(=O)=O)C=CC(=C3)Cl)C(=O)CCCN4C=CC=N4

Isomeric SMILES

C1=CC=C2C(=C1)N(C3=C(S2(=O)=O)C=CC(=C3)Cl)C(=O)CCCN4C=CC=N4

InChI

InChI=1S/C19H16ClN3O3S/c20-14-8-9-18-16(13-14)23(15-5-1-2-6-17(15)27(18,25)26)19(24)7-3-11-22-12-4-10-21-22/h1-2,4-6,8-10,12-13H,3,7,11H2