1-[5-(1,3-benzothiazol-2-ylamino)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone

Systemtic Name: 1-[5-(1,3-benzothiazol-2-ylamino)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone Openeye Name: 1-[5-(1,3-benzothiazol-2-ylamino)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone CAS Name: 1-[5-(1,3-benzothiazol-2-ylamino)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone IUPAC Name: 1-[5-(1,3-benzothiazol-2-ylamino)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone Traditional Name: 1-[3-(1,3-benzothiazol-2-ylamino)-5-(4-methoxyphenyl)-2-pyrazolin-1-yl]ethanone Formula: C19H18N4O2S MolecularWeight: 366.43682

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C(CC(=N1)NC2=NC3=CC=CC=C3S2)C4=CC=C(C=C4)OC

Isomeric SMILES

CC(=O)N1C(CC(=N1)NC2=NC3=CC=CC=C3S2)C4=CC=C(C=C4)OC

InChI

InChI=1S/C19H18N4O2S/c1-12(24)23-16(13-7-9-14(25-2)10-8-13)11-18(22-23)21-19-20-15-5-3-4-6-17(15)26-19/h3-10,16H,11H2,1-2H3,(H,20,21,22)