(3S,3aS)-3-thiophen-2-yl-3,3a,4,5-tetrahydrobenzo[g]indazole-2-carbothioamide

Systemtic Name: (3S,3aS)-3-thiophen-2-yl-3,3a,4,5-tetrahydrobenzo[g]indazole-2-carbothioamide Openeye Name: (3S,3aS)-3-(2-thienyl)-3,3a,4,5-tetrahydrobenzo[g]indazole-2-carbothioamide CAS Name: (3S,3aS)-3-thiophen-2-yl-3,3a,4,5-tetrahydrobenzo[g]indazole-2-carbothioamide IUPAC Name: (3S,3aS)-3-thiophen-2-yl-3,3a,4,5-tetrahydrobenzo[g]indazole-2-carbothioamide Traditional Name: (3S,3aS)-3-(2-thienyl)-3,3a,4,5-tetrahydrobenz[g]indazole-2-carbothioamide Formula: C16H15N3S2 MolecularWeight: 313.4404

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2C3=NN(C(C31)C4=CC=CS4)C(=S)N

Isomeric SMILES

C1CC2=CC=CC=C2C3=NN([C@@H]([C@@H]31)C4=CC=CS4)C(=S)N

InChI

InChI=1S/C16H15N3S2/c17-16(20)19-15(13-6-3-9-21-13)12-8-7-10-4-1-2-5-11(10)14(12)18-19/h1-6,9,12,15H,7-8H2,(H2,17,20)/t12-,15+/m1/s1