N-(3-pyrrolidin-1-ium-1-ylpropyl)benzotriazole-1-carbothioamide

Systemtic Name: N-(3-pyrrolidin-1-ium-1-ylpropyl)benzotriazole-1-carbothioamide Openeye Name: N-(3-pyrrolidin-1-ium-1-ylpropyl)benzotriazole-1-carbothioamide CAS Name: N-[3-(1-pyrrolidin-1-iumyl)propyl]-1-benzotriazolecarbothioamide IUPAC Name: N-(3-pyrrolidin-1-ium-1-ylpropyl)benzotriazole-1-carbothioamide Traditional Name: N-(3-pyrrolidin-1-ium-1-ylpropyl)benzotriazole-1-carbothioamide Formula: C14H20N5S+ MolecularWeight: 290.4071

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CCCNC(=S)N2C3=CC=CC=C3N=N2

Isomeric SMILES

C1CC[NH+](C1)CCCNC(=S)N2C3=CC=CC=C3N=N2

InChI

InChI=1S/C14H19N5S/c20-14(15-8-5-11-18-9-3-4-10-18)19-13-7-2-1-6-12(13)16-17-19/h1-2,6-7H,3-5,8-11H2,(H,15,20)/p+1