4-(1,3-benzothiazol-2-ylamino)-1,5-dimethyl-2-phenyl-1H-pyrazol-1-ium-3-one

Systemtic Name: 4-(1,3-benzothiazol-2-ylamino)-1,5-dimethyl-2-phenyl-1H-pyrazol-1-ium-3-one Openeye Name: 4-(1,3-benzothiazol-2-ylamino)-1,5-dimethyl-2-phenyl-1H-pyrazol-1-ium-3-one CAS Name: 4-(1,3-benzothiazol-2-ylamino)-1,5-dimethyl-2-phenyl-1H-pyrazol-1-ium-3-one IUPAC Name: 4-(1,3-benzothiazol-2-ylamino)-1,5-dimethyl-2-phenyl-1H-pyrazol-1-ium-3-one Traditional Name: 4-(1,3-benzothiazol-2-ylamino)-1,5-dimethyl-2-phenyl-3-pyrazolin-1-ium-3-one Formula: C18H17N4OS+ MolecularWeight: 337.41878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N([NH+]1C)C2=CC=CC=C2)NC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=C(C(=O)N([NH+]1C)C2=CC=CC=C2)NC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C18H16N4OS/c1-12-16(20-18-19-14-10-6-7-11-15(14)24-18)17(23)22(21(12)2)13-8-4-3-5-9-13/h3-11H,1-2H3,(H,19,20)/p+1