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

Systemtic Name: 2-(5-phenyl-1,2,4-triazol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile Openeye Name: 2-(5-phenyl-1,2,4-triazol-1-yl)-4,5,6,7-tetrahydrobenzothiophene-3-carbonitrile CAS Name: 2-(5-phenyl-1,2,4-triazol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile IUPAC Name: 2-(5-phenyl-1,2,4-triazol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile Traditional Name: 2-(5-phenyl-1,2,4-triazol-1-yl)-4,5,6,7-tetrahydrobenzothiophene-3-carbonitrile Formula: C17H14N4S MolecularWeight: 306.38486

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)N3C(=NC=N3)C4=CC=CC=C4)C#N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)N3C(=NC=N3)C4=CC=CC=C4)C#N

InChI

InChI=1S/C17H14N4S/c18-10-14-13-8-4-5-9-15(13)22-17(14)21-16(19-11-20-21)12-6-2-1-3-7-12/h1-3,6-7,11H,4-5,8-9H2