3-[2-[2,5-dimethyl-1-(2-thiophen-2-ylethyl)pyrrol-3-yl]-2-oxidanylidene-ethyl]-1,2,3-benzotriazin-4-one

Systemtic Name: 3-[2-[2,5-dimethyl-1-(2-thiophen-2-ylethyl)pyrrol-3-yl]-2-oxidanylidene-ethyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[2-[2,5-dimethyl-1-[2-(2-thienyl)ethyl]pyrrol-3-yl]-2-oxo-ethyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[2-[2,5-dimethyl-1-(2-thiophen-2-ylethyl)-3-pyrrolyl]-2-oxoethyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[2-[2,5-dimethyl-1-(2-thiophen-2-ylethyl)pyrrol-3-yl]-2-oxoethyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[2-[2,5-dimethyl-1-[2-(2-thienyl)ethyl]pyrrol-3-yl]-2-keto-ethyl]-1,2,3-benzotriazin-4-one Formula: C21H20N4O2S MolecularWeight: 392.4741

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCC2=CC=CS2)C)C(=O)CN3C(=O)C4=CC=CC=C4N=N3

Isomeric SMILES

CC1=CC(=C(N1CCC2=CC=CS2)C)C(=O)CN3C(=O)C4=CC=CC=C4N=N3

InChI

InChI=1S/C21H20N4O2S/c1-14-12-18(15(2)24(14)10-9-16-6-5-11-28-16)20(26)13-25-21(27)17-7-3-4-8-19(17)22-23-25/h3-8,11-12H,9-10,13H2,1-2H3