2-[[(1E)-1-[1-(1,3-benzothiazol-2-yl)-3-methyl-5-oxidanylidene-pyrazol-4-ylidene]ethyl]amino]benzenecarbonitrile

Systemtic Name: 2-[[(1E)-1-[1-(1,3-benzothiazol-2-yl)-3-methyl-5-oxidanylidene-pyrazol-4-ylidene]ethyl]amino]benzenecarbonitrile Openeye Name: 2-[[(1E)-1-[1-(1,3-benzothiazol-2-yl)-3-methyl-5-oxo-pyrazol-4-ylidene]ethyl]amino]benzonitrile CAS Name: 2-[[(1E)-1-[1-(1,3-benzothiazol-2-yl)-3-methyl-5-oxo-4-pyrazolylidene]ethyl]amino]benzonitrile IUPAC Name: 2-[[(1E)-1-[1-(1,3-benzothiazol-2-yl)-3-methyl-5-oxopyrazol-4-ylidene]ethyl]amino]benzonitrile Traditional Name: 2-[[(1E)-1-[1-(1,3-benzothiazol-2-yl)-5-keto-3-methyl-2-pyrazolin-4-ylidene]ethyl]amino]benzonitrile Formula: C20H15N5OS MolecularWeight: 373.431

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=C(C)NC2=CC=CC=C2C#N)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC\1=NN(C(=O)/C1=C(\C)/NC2=CC=CC=C2C#N)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H15N5OS/c1-12(22-15-8-4-3-7-14(15)11-21)18-13(2)24-25(19(18)26)20-23-16-9-5-6-10-17(16)27-20/h3-10,22H,1-2H3/b18-12+