2-[4-[(Z)-N-(1,3-benzothiazol-2-ylamino)-C-methyl-carbonimidoyl]phenoxy]ethanenitrile

Systemtic Name: 2-[4-[(Z)-N-(1,3-benzothiazol-2-ylamino)-C-methyl-carbonimidoyl]phenoxy]ethanenitrile Openeye Name: 2-[4-[(Z)-N-(1,3-benzothiazol-2-ylamino)-C-methyl-carbonimidoyl]phenoxy]acetonitrile CAS Name: 2-[4-[(1Z)-1-(1,3-benzothiazol-2-ylhydrazinylidene)ethyl]phenoxy]acetonitrile IUPAC Name: 2-[4-[(Z)-N-(1,3-benzothiazol-2-ylamino)-C-methylcarbonimidoyl]phenoxy]acetonitrile Traditional Name: 2-[4-[(Z)-N-(1,3-benzothiazol-2-ylamino)-C-methyl-carbonimidoyl]phenoxy]acetonitrile Formula: C17H14N4OS MolecularWeight: 322.38426

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC1=NC2=CC=CC=C2S1)C3=CC=C(C=C3)OCC#N

Isomeric SMILES

C/C(=N/NC1=NC2=CC=CC=C2S1)/C3=CC=C(C=C3)OCC#N

InChI

InChI=1S/C17H14N4OS/c1-12(13-6-8-14(9-7-13)22-11-10-18)20-21-17-19-15-4-2-3-5-16(15)23-17/h2-9H,11H2,1H3,(H,19,21)/b20-12-