5-methyl-2-[(E)-2-(1-methylpyrazol-4-yl)ethenyl]-1,3-benzothiazole

Systemtic Name: 5-methyl-2-[(E)-2-(1-methylpyrazol-4-yl)ethenyl]-1,3-benzothiazole Openeye Name: 5-methyl-2-[(E)-2-(1-methylpyrazol-4-yl)vinyl]-1,3-benzothiazole CAS Name: 5-methyl-2-[(E)-2-(1-methyl-4-pyrazolyl)ethenyl]-1,3-benzothiazole IUPAC Name: 5-methyl-2-[(E)-2-(1-methylpyrazol-4-yl)ethenyl]-1,3-benzothiazole Traditional Name: 5-methyl-2-[(E)-2-(1-methylpyrazol-4-yl)vinyl]-1,3-benzothiazole Formula: C14H13N3S MolecularWeight: 255.33812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)SC(=N2)C=CC3=CN(N=C3)C

Isomeric SMILES

CC1=CC2=C(C=C1)SC(=N2)/C=C/C3=CN(N=C3)C

InChI

InChI=1S/C14H13N3S/c1-10-3-5-13-12(7-10)16-14(18-13)6-4-11-8-15-17(2)9-11/h3-9H,1-2H3/b6-4+