2-(1,3-benzothiazol-2-yl)-4-[C-ethyl-N-[2-(1H-imidazol-5-yl)ethyl]carbonimidoyl]-5-methyl-4H-pyrazol-3-one

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-4-[C-ethyl-N-[2-(1H-imidazol-5-yl)ethyl]carbonimidoyl]-5-methyl-4H-pyrazol-3-one Openeye Name: 2-(1,3-benzothiazol-2-yl)-4-[C-ethyl-N-[2-(1H-imidazol-5-yl)ethyl]carbonimidoyl]-5-methyl-4H-pyrazol-3-one CAS Name: 2-(1,3-benzothiazol-2-yl)-4-[1-[2-(1H-imidazol-5-yl)ethylimino]propyl]-5-methyl-4H-pyrazol-3-one IUPAC Name: 2-(1,3-benzothiazol-2-yl)-4-[C-ethyl-N-[2-(1H-imidazol-5-yl)ethyl]carbonimidoyl]-5-methyl-4H-pyrazol-3-one Traditional Name: 2-(1,3-benzothiazol-2-yl)-4-[C-ethyl-N-[2-(1H-imidazol-5-yl)ethyl]carbonimidoyl]-5-methyl-2-pyrazolin-3-one Formula: C19H20N6OS MolecularWeight: 380.4667

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=NCCC1=CN=CN1)C2C(=NN(C2=O)C3=NC4=CC=CC=C4S3)C

Isomeric SMILES

CCC(=NCCC1=CN=CN1)C2C(=NN(C2=O)C3=NC4=CC=CC=C4S3)C

InChI

InChI=1S/C19H20N6OS/c1-3-14(21-9-8-13-10-20-11-22-13)17-12(2)24-25(18(17)26)19-23-15-6-4-5-7-16(15)27-19/h4-7,10-11,17H,3,8-9H2,1-2H3,(H,20,22)