[2-[[(Z)-(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)methyl]amino]-1,3-benzothiazol-6-yl] thiocyanate

Systemtic Name: [2-[[(Z)-(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)methyl]amino]-1,3-benzothiazol-6-yl] thiocyanate Openeye Name: [2-[[(Z)-(3-methyl-5-oxo-1-phenyl-pyrazol-4-ylidene)methyl]amino]-1,3-benzothiazol-6-yl] thiocyanate CAS Name: thiocyanic acid [2-[[(Z)-(3-methyl-5-oxo-1-phenyl-4-pyrazolylidene)methyl]amino]-1,3-benzothiazol-6-yl] ester IUPAC Name: [2-[[(Z)-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)methyl]amino]-1,3-benzothiazol-6-yl] thiocyanate Traditional Name: thiocyanic acid [2-[[(Z)-(5-keto-3-methyl-1-phenyl-2-pyrazolin-4-ylidene)methyl]amino]-1,3-benzothiazol-6-yl] ester Formula: C19H13N5OS2 MolecularWeight: 391.46942

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CNC2=NC3=C(S2)C=C(C=C3)SC#N)C4=CC=CC=C4

Isomeric SMILES

CC\1=NN(C(=O)/C1=C\NC2=NC3=C(S2)C=C(C=C3)SC#N)C4=CC=CC=C4

InChI

InChI=1S/C19H13N5OS2/c1-12-15(18(25)24(23-12)13-5-3-2-4-6-13)10-21-19-22-16-8-7-14(26-11-20)9-17(16)27-19/h2-10H,1H3,(H,21,22)/b15-10-