2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-1-[3-(4-methoxyphenyl)-5-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]ethanone

Systemtic Name: 2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-1-[3-(4-methoxyphenyl)-5-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]ethanone Openeye Name: 2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-1-[3-(4-methoxyphenyl)-5-(2-naphthyl)-3,4-dihydropyrazol-2-yl]ethanone CAS Name: 2-[(6-ethoxy-1,3-benzothiazol-2-yl)thio]-1-[3-(4-methoxyphenyl)-5-(2-naphthalenyl)-3,4-dihydropyrazol-2-yl]ethanone IUPAC Name: 2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-1-[3-(4-methoxyphenyl)-5-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]ethanone Traditional Name: 2-[(6-ethoxy-1,3-benzothiazol-2-yl)thio]-1-[5-(4-methoxyphenyl)-3-(2-naphthyl)-2-pyrazolin-1-yl]ethanone Formula: C31H27N3O3S2 MolecularWeight: 553.69438

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)SCC(=O)N3C(CC(=N3)C4=CC5=CC=CC=C5C=C4)C6=CC=C(C=C6)OC

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)SCC(=O)N3C(CC(=N3)C4=CC5=CC=CC=C5C=C4)C6=CC=C(C=C6)OC

InChI

InChI=1S/C31H27N3O3S2/c1-3-37-25-14-15-26-29(17-25)39-31(32-26)38-19-30(35)34-28(21-10-12-24(36-2)13-11-21)18-27(33-34)23-9-8-20-6-4-5-7-22(20)16-23/h4-17,28H,3,18-19H2,1-2H3