5-(1,3-benzothiazol-2-ylsulfanyl)-3-methyl-1-phenyl-pyrazole-4-carbaldehyde

Systemtic Name: 5-(1,3-benzothiazol-2-ylsulfanyl)-3-methyl-1-phenyl-pyrazole-4-carbaldehyde Openeye Name: 5-(1,3-benzothiazol-2-ylsulfanyl)-3-methyl-1-phenyl-pyrazole-4-carbaldehyde CAS Name: 5-(1,3-benzothiazol-2-ylthio)-3-methyl-1-phenyl-4-pyrazolecarboxaldehyde IUPAC Name: 5-(1,3-benzothiazol-2-ylsulfanyl)-3-methyl-1-phenylpyrazole-4-carbaldehyde Traditional Name: 5-(1,3-benzothiazol-2-ylthio)-3-methyl-1-phenyl-pyrazole-4-carbaldehyde Formula: C18H13N3OS2 MolecularWeight: 351.44532

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=O)SC2=NC3=CC=CC=C3S2)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1C=O)SC2=NC3=CC=CC=C3S2)C4=CC=CC=C4

InChI

InChI=1S/C18H13N3OS2/c1-12-14(11-22)17(21(20-12)13-7-3-2-4-8-13)24-18-19-15-9-5-6-10-16(15)23-18/h2-11H,1H3