2-(5-methoxybenzotriazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile

Systemtic Name: 2-(5-methoxybenzotriazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile Openeye Name: 2-(5-methoxybenzotriazol-2-yl)-4,5,6,7-tetrahydrobenzothiophene-3-carbonitrile CAS Name: 2-(5-methoxy-2-benzotriazolyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile IUPAC Name: 2-(5-methoxybenzotriazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile Traditional Name: 2-(5-methoxybenzotriazol-2-yl)-4,5,6,7-tetrahydrobenzothiophene-3-carbonitrile Formula: C16H14N4OS MolecularWeight: 310.37356

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=NN(N=C2C=C1)C3=C(C4=C(S3)CCCC4)C#N

Isomeric SMILES

COC1=CC2=NN(N=C2C=C1)C3=C(C4=C(S3)CCCC4)C#N

InChI

InChI=1S/C16H14N4OS/c1-21-10-6-7-13-14(8-10)19-20(18-13)16-12(9-17)11-4-2-3-5-15(11)22-16/h6-8H,2-5H2,1H3