2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(Z)-(1-butyl-5-chloranyl-3-methyl-pyrazol-4-yl)methylideneamino]ethanamide

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(Z)-(1-butyl-5-chloranyl-3-methyl-pyrazol-4-yl)methylideneamino]ethanamide Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(Z)-(1-butyl-5-chloro-3-methyl-pyrazol-4-yl)methyleneamino]acetamide CAS Name: 2-(1,3-benzothiazol-2-ylthio)-N-[(Z)-(1-butyl-5-chloro-3-methyl-4-pyrazolyl)methylideneamino]acetamide IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(Z)-(1-butyl-5-chloro-3-methylpyrazol-4-yl)methylideneamino]acetamide Traditional Name: 2-(1,3-benzothiazol-2-ylthio)-N-[(Z)-(1-butyl-5-chloro-3-methyl-pyrazol-4-yl)methyleneamino]acetamide Formula: C18H20ClN5OS2 MolecularWeight: 421.9673

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=N1)C)C=NNC(=O)CSC2=NC3=CC=CC=C3S2)Cl

Isomeric SMILES

CCCCN1C(=C(C(=N1)C)/C=N\NC(=O)CSC2=NC3=CC=CC=C3S2)Cl

InChI

InChI=1S/C18H20ClN5OS2/c1-3-4-9-24-17(19)13(12(2)23-24)10-20-22-16(25)11-26-18-21-14-7-5-6-8-15(14)27-18/h5-8,10H,3-4,9,11H2,1-2H3,(H,22,25)/b20-10-