2-benzo[e]benzotriazol-2-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile

Systemtic Name: 2-benzo[e]benzotriazol-2-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile Openeye Name: 2-benzo[e]benzotriazol-2-yl-4,5,6,7-tetrahydrobenzothiophene-3-carbonitrile CAS Name: 2-(2-benzo[e]benzotriazolyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile IUPAC Name: 2-benzo[e]benzotriazol-2-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile Traditional Name: 2-benzo[e]benzotriazol-2-yl-4,5,6,7-tetrahydrobenzothiophene-3-carbonitrile Formula: C19H14N4S MolecularWeight: 330.40626

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)N3N=C4C=CC5=CC=CC=C5C4=N3)C#N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)N3N=C4C=CC5=CC=CC=C5C4=N3)C#N

InChI

InChI=1S/C19H14N4S/c20-11-15-14-7-3-4-8-17(14)24-19(15)23-21-16-10-9-12-5-1-2-6-13(12)18(16)22-23/h1-2,5-6,9-10H,3-4,7-8H2