2-(benzotriazol-1-yl)-1-[2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-3-yl]ethanone

Systemtic Name: 2-(benzotriazol-1-yl)-1-[2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-3-yl]ethanone Openeye Name: 2-(benzotriazol-1-yl)-1-[2,5-dimethyl-1-(2-thienylmethyl)pyrrol-3-yl]ethanone CAS Name: 2-(1-benzotriazolyl)-1-[2,5-dimethyl-1-(thiophen-2-ylmethyl)-3-pyrrolyl]ethanone IUPAC Name: 2-(benzotriazol-1-yl)-1-[2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-3-yl]ethanone Traditional Name: 2-(benzotriazol-1-yl)-1-[2,5-dimethyl-1-(2-thenyl)pyrrol-3-yl]ethanone Formula: C19H18N4OS MolecularWeight: 350.43742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC=CS2)C)C(=O)CN3C4=CC=CC=C4N=N3

Isomeric SMILES

CC1=CC(=C(N1CC2=CC=CS2)C)C(=O)CN3C4=CC=CC=C4N=N3

InChI

InChI=1S/C19H18N4OS/c1-13-10-16(14(2)22(13)11-15-6-5-9-25-15)19(24)12-23-18-8-4-3-7-17(18)20-21-23/h3-10H,11-12H2,1-2H3