4-[2-(3-methyl-1-benzothiophen-2-yl)-2-oxidanylidene-ethyl]-1,2,4-triazole-3-carbonitrile

Systemtic Name: 4-[2-(3-methyl-1-benzothiophen-2-yl)-2-oxidanylidene-ethyl]-1,2,4-triazole-3-carbonitrile Openeye Name: 4-[2-(3-methylbenzothiophen-2-yl)-2-oxo-ethyl]-1,2,4-triazole-3-carbonitrile CAS Name: 4-[2-(3-methyl-1-benzothiophen-2-yl)-2-oxoethyl]-1,2,4-triazole-3-carbonitrile IUPAC Name: 4-[2-(3-methyl-1-benzothiophen-2-yl)-2-oxoethyl]-1,2,4-triazole-3-carbonitrile Traditional Name: 4-[2-keto-2-(3-methylbenzothiophen-2-yl)ethyl]-1,2,4-triazole-3-carbonitrile Formula: C14H10N4OS MolecularWeight: 282.3204

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=CC=CC=C12)C(=O)CN3C=NN=C3C#N

Isomeric SMILES

CC1=C(SC2=CC=CC=C12)C(=O)CN3C=NN=C3C#N

InChI

InChI=1S/C14H10N4OS/c1-9-10-4-2-3-5-12(10)20-14(9)11(19)7-18-8-16-17-13(18)6-15/h2-5,8H,7H2,1H3