(E)-1-(3-methyl-1-benzothiophen-2-yl)-3-(1-methylpyrazol-4-yl)prop-2-en-1-one

Systemtic Name: (E)-1-(3-methyl-1-benzothiophen-2-yl)-3-(1-methylpyrazol-4-yl)prop-2-en-1-one Openeye Name: (E)-1-(3-methylbenzothiophen-2-yl)-3-(1-methylpyrazol-4-yl)prop-2-en-1-one CAS Name: (E)-1-(3-methyl-1-benzothiophen-2-yl)-3-(1-methyl-4-pyrazolyl)-2-propen-1-one IUPAC Name: (E)-1-(3-methyl-1-benzothiophen-2-yl)-3-(1-methylpyrazol-4-yl)prop-2-en-1-one Traditional Name: (E)-1-(3-methylbenzothiophen-2-yl)-3-(1-methylpyrazol-4-yl)prop-2-en-1-one Formula: C16H14N2OS MolecularWeight: 282.36016

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=CC=CC=C12)C(=O)C=CC3=CN(N=C3)C

Isomeric SMILES

CC1=C(SC2=CC=CC=C12)C(=O)/C=C/C3=CN(N=C3)C

InChI

InChI=1S/C16H14N2OS/c1-11-13-5-3-4-6-15(13)20-16(11)14(19)8-7-12-9-17-18(2)10-12/h3-10H,1-2H3/b8-7+