2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(E)-(2,5-dimethyl-1-pyridin-2-yl-pyrrol-3-yl)methylideneamino]ethanamide

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(E)-(2,5-dimethyl-1-pyridin-2-yl-pyrrol-3-yl)methylideneamino]ethanamide Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(E)-[2,5-dimethyl-1-(2-pyridyl)pyrrol-3-yl]methyleneamino]acetamide CAS Name: 2-(1,3-benzothiazol-2-ylthio)-N-[(E)-[2,5-dimethyl-1-(2-pyridinyl)-3-pyrrolyl]methylideneamino]acetamide IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(E)-(2,5-dimethyl-1-pyridin-2-ylpyrrol-3-yl)methylideneamino]acetamide Traditional Name: 2-(1,3-benzothiazol-2-ylthio)-N-[(E)-[2,5-dimethyl-1-(2-pyridyl)pyrrol-3-yl]methyleneamino]acetamide Formula: C21H19N5OS2 MolecularWeight: 421.53846

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=CC=N2)C)C=NNC(=O)CSC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=CC(=C(N1C2=CC=CC=N2)C)/C=N/NC(=O)CSC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H19N5OS2/c1-14-11-16(15(2)26(14)19-9-5-6-10-22-19)12-23-25-20(27)13-28-21-24-17-7-3-4-8-18(17)29-21/h3-12H,13H2,1-2H3,(H,25,27)/b23-12+