benzotriazol-1-yl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone

Systemtic Name: benzotriazol-1-yl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone Openeye Name: benzotriazol-1-yl(4,5,6,7-tetrahydrobenzothiophen-2-yl)methanone CAS Name: 1-benzotriazolyl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone IUPAC Name: benzotriazol-1-yl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone Traditional Name: benzotriazol-1-yl(4,5,6,7-tetrahydrobenzothiophen-2-yl)methanone Formula: C15H13N3OS MolecularWeight: 283.34822

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C=C(S2)C(=O)N3C4=CC=CC=C4N=N3

Isomeric SMILES

C1CCC2=C(C1)C=C(S2)C(=O)N3C4=CC=CC=C4N=N3

InChI

InChI=1S/C15H13N3OS/c19-15(14-9-10-5-1-4-8-13(10)20-14)18-12-7-3-2-6-11(12)16-17-18/h2-3,6-7,9H,1,4-5,8H2