N-[1-(benzotriazol-1-yl)octyl]pyridine-4-carbothioamide

Systemtic Name: N-[1-(benzotriazol-1-yl)octyl]pyridine-4-carbothioamide Openeye Name: N-[1-(benzotriazol-1-yl)octyl]pyridine-4-carbothioamide CAS Name: N-[1-(1-benzotriazolyl)octyl]-4-pyridinecarbothioamide IUPAC Name: N-[1-(benzotriazol-1-yl)octyl]pyridine-4-carbothioamide Traditional Name: N-[1-(benzotriazol-1-yl)octyl]thioisonicotinamide Formula: C20H25N5S MolecularWeight: 367.511

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(NC(=S)C1=CC=NC=C1)N2C3=CC=CC=C3N=N2

Isomeric SMILES

CCCCCCCC(NC(=S)C1=CC=NC=C1)N2C3=CC=CC=C3N=N2

InChI

InChI=1S/C20H25N5S/c1-2-3-4-5-6-11-19(22-20(26)16-12-14-21-15-13-16)25-18-10-8-7-9-17(18)23-24-25/h7-10,12-15,19H,2-6,11H2,1H3,(H,22,26)