(2E)-2-(1,3-benzothiazol-2-yl)-2-[(2-methyl-5-morpholin-4-ylsulfonyl-phenyl)hydrazinylidene]ethanenitrile

Systemtic Name: (2E)-2-(1,3-benzothiazol-2-yl)-2-[(2-methyl-5-morpholin-4-ylsulfonyl-phenyl)hydrazinylidene]ethanenitrile Openeye Name: (2E)-N-(2-methyl-5-morpholinosulfonyl-anilino)-1,3-benzothiazole-2-carboximidoyl cyanide CAS Name: (2E)-2-(1,3-benzothiazol-2-yl)-2-[[2-methyl-5-(4-morpholinylsulfonyl)phenyl]hydrazinylidene]acetonitrile IUPAC Name: (2E)-N-(2-methyl-5-morpholin-4-ylsulfonylanilino)-1,3-benzothiazole-2-carboximidoyl cyanide Traditional Name: (2E)-2-(1,3-benzothiazol-2-yl)-2-[(2-methyl-5-morpholinosulfonyl-phenyl)hydrazono]acetonitrile Formula: C20H19N5O3S2 MolecularWeight: 441.52656

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NN=C(C#N)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)N/N=C(\C#N)/C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H19N5O3S2/c1-14-6-7-15(30(26,27)25-8-10-28-11-9-25)12-17(14)23-24-18(13-21)20-22-16-4-2-3-5-19(16)29-20/h2-7,12,23H,8-11H2,1H3/b24-18+