4-phenyl-5-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-1,2,4-triazole-3-thiolate

Systemtic Name: 4-phenyl-5-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-1,2,4-triazole-3-thiolate Openeye Name: 4-phenyl-5-(4,5,6,7-tetrahydrobenzothiophen-3-yl)-1,2,4-triazole-3-thiolate CAS Name: 4-phenyl-5-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-1,2,4-triazole-3-thiolate IUPAC Name: 4-phenyl-5-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-1,2,4-triazole-3-thiolate Traditional Name: 4-phenyl-5-(4,5,6,7-tetrahydrobenzothiophen-3-yl)-1,2,4-triazole-3-thiolate Formula: C16H14N3S2- MolecularWeight: 312.43246

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=CS2)C3=NN=C(N3C4=CC=CC=C4)[S-]

Isomeric SMILES

C1CCC2=C(C1)C(=CS2)C3=NN=C(N3C4=CC=CC=C4)[S-]

InChI

InChI=1S/C16H15N3S2/c20-16-18-17-15(19(16)11-6-2-1-3-7-11)13-10-21-14-9-5-4-8-12(13)14/h1-3,6-7,10H,4-5,8-9H2,(H,18,20)/p-1