3-[4-[(Z)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-3-phenyl-pyrazol-1-yl]propanenitrile

Systemtic Name: 3-[4-[(Z)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-3-phenyl-pyrazol-1-yl]propanenitrile Openeye Name: 3-[4-[(Z)-(1,3-benzothiazol-2-ylhydrazono)methyl]-3-phenyl-pyrazol-1-yl]propanenitrile CAS Name: 3-[4-[(Z)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-3-phenyl-1-pyrazolyl]propanenitrile IUPAC Name: 3-[4-[(Z)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-3-phenylpyrazol-1-yl]propanenitrile Traditional Name: 3-[4-[(Z)-(1,3-benzothiazol-2-ylhydrazono)methyl]-3-phenyl-pyrazol-1-yl]propionitrile Formula: C20H16N6S MolecularWeight: 372.44624

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C=C2C=NNC3=NC4=CC=CC=C4S3)CCC#N

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C=C2/C=N\NC3=NC4=CC=CC=C4S3)CCC#N

InChI

InChI=1S/C20H16N6S/c21-11-6-12-26-14-16(19(25-26)15-7-2-1-3-8-15)13-22-24-20-23-17-9-4-5-10-18(17)27-20/h1-5,7-10,13-14H,6,12H2,(H,23,24)/b22-13-