N-(furan-2-ylmethyl)-3a,7a-dihydrobenzotriazole-1-carbothioamide

Systemtic Name: N-(furan-2-ylmethyl)-3a,7a-dihydrobenzotriazole-1-carbothioamide Openeye Name: N-(2-furylmethyl)-3a,7a-dihydrobenzotriazole-1-carbothioamide CAS Name: N-(2-furanylmethyl)-3a,7a-dihydrobenzotriazole-1-carbothioamide IUPAC Name: N-(furan-2-ylmethyl)-3a,7a-dihydrobenzotriazole-1-carbothioamide Traditional Name: N-(2-furfuryl)-3a,7a-dihydrobenzotriazole-1-carbothioamide Formula: C12H12N4OS MolecularWeight: 260.31488

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2C(C=C1)N(N=N2)C(=S)NCC3=CC=CO3

Isomeric SMILES

C1=CC2C(C=C1)N(N=N2)C(=S)NCC3=CC=CO3

InChI

InChI=1S/C12H12N4OS/c18-12(13-8-9-4-3-7-17-9)16-11-6-2-1-5-10(11)14-15-16/h1-7,10-11H,8H2,(H,13,18)