2-[5-(2-methylphenyl)-1,2,4-triazol-1-yl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carbonitrile

Systemtic Name: 2-[5-(2-methylphenyl)-1,2,4-triazol-1-yl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carbonitrile Openeye Name: 2-[5-(o-tolyl)-1,2,4-triazol-1-yl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carbonitrile CAS Name: 2-[5-(2-methylphenyl)-1,2,4-triazol-1-yl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carbonitrile IUPAC Name: 2-[5-(2-methylphenyl)-1,2,4-triazol-1-yl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carbonitrile Traditional Name: 2-[5-(o-tolyl)-1,2,4-triazol-1-yl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carbonitrile Formula: C19H18N4S MolecularWeight: 334.43802

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NC=NN2C3=C(C4=C(S3)CCCCC4)C#N

Isomeric SMILES

CC1=CC=CC=C1C2=NC=NN2C3=C(C4=C(S3)CCCCC4)C#N

InChI

InChI=1S/C19H18N4S/c1-13-7-5-6-8-14(13)18-21-12-22-23(18)19-16(11-20)15-9-3-2-4-10-17(15)24-19/h5-8,12H,2-4,9-10H2,1H3