N-[(E)-(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methylideneamino]-1,3-benzothiazol-2-amine

Systemtic Name: N-[(E)-(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methylideneamino]-1,3-benzothiazol-2-amine Openeye Name: N-[(E)-(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyleneamino]-1,3-benzothiazol-2-amine CAS Name: N-[(E)-(5-chloro-3-methyl-1-phenyl-4-pyrazolyl)methylideneamino]-1,3-benzothiazol-2-amine IUPAC Name: N-[(E)-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylideneamino]-1,3-benzothiazol-2-amine Traditional Name: 1,3-benzothiazol-2-yl-[(E)-(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyleneamino]amine Formula: C18H14ClN5S MolecularWeight: 367.85526

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=NNC2=NC3=CC=CC=C3S2)Cl)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1/C=N/NC2=NC3=CC=CC=C3S2)Cl)C4=CC=CC=C4

InChI

InChI=1S/C18H14ClN5S/c1-12-14(17(19)24(23-12)13-7-3-2-4-8-13)11-20-22-18-21-15-9-5-6-10-16(15)25-18/h2-11H,1H3,(H,21,22)/b20-11+