2-[5-(4-methoxyphenyl)-1,2,4-triazol-1-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile

Systemtic Name: 2-[5-(4-methoxyphenyl)-1,2,4-triazol-1-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile Openeye Name: 2-[5-(4-methoxyphenyl)-1,2,4-triazol-1-yl]-4,5,6,7-tetrahydrobenzothiophene-3-carbonitrile CAS Name: 2-[5-(4-methoxyphenyl)-1,2,4-triazol-1-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile IUPAC Name: 2-[5-(4-methoxyphenyl)-1,2,4-triazol-1-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile Traditional Name: 2-[5-(4-methoxyphenyl)-1,2,4-triazol-1-yl]-4,5,6,7-tetrahydrobenzothiophene-3-carbonitrile Formula: C18H16N4OS MolecularWeight: 336.41084

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC=NN2C3=C(C4=C(S3)CCCC4)C#N

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC=NN2C3=C(C4=C(S3)CCCC4)C#N

InChI

InChI=1S/C18H16N4OS/c1-23-13-8-6-12(7-9-13)17-20-11-21-22(17)18-15(10-19)14-4-2-3-5-16(14)24-18/h6-9,11H,2-5H2,1H3