2-[2-(3-cyanophenyl)-1,2,3,4-tetrazol-5-yl]-N-methyl-pyrrolidine-1-carbothioamide

Systemtic Name: 2-[2-(3-cyanophenyl)-1,2,3,4-tetrazol-5-yl]-N-methyl-pyrrolidine-1-carbothioamide Openeye Name: 2-[2-(3-cyanophenyl)tetrazol-5-yl]-N-methyl-pyrrolidine-1-carbothioamide CAS Name: 2-[2-(3-cyanophenyl)-5-tetrazolyl]-N-methyl-1-pyrrolidinecarbothioamide IUPAC Name: 2-[2-(3-cyanophenyl)tetrazol-5-yl]-N-methylpyrrolidine-1-carbothioamide Traditional Name: 2-[2-(3-cyanophenyl)tetrazol-5-yl]-N-methyl-pyrrolidine-1-carbothioamide Formula: C14H15N7S MolecularWeight: 313.3808

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)N1CCCC1C2=NN(N=N2)C3=CC=CC(=C3)C#N

Isomeric SMILES

CNC(=S)N1CCCC1C2=NN(N=N2)C3=CC=CC(=C3)C#N

InChI

InChI=1S/C14H15N7S/c1-16-14(22)20-7-3-6-12(20)13-17-19-21(18-13)11-5-2-4-10(8-11)9-15/h2,4-5,8,12H,3,6-7H2,1H3,(H,16,22)