N-[1-(benzotriazol-2-yl)decyl]pyridine-4-carbothioamide

Systemtic Name: N-[1-(benzotriazol-2-yl)decyl]pyridine-4-carbothioamide Openeye Name: N-[1-(benzotriazol-2-yl)decyl]pyridine-4-carbothioamide CAS Name: N-[1-(2-benzotriazolyl)decyl]-4-pyridinecarbothioamide IUPAC Name: N-[1-(benzotriazol-2-yl)decyl]pyridine-4-carbothioamide Traditional Name: N-[1-(benzotriazol-2-yl)decyl]thioisonicotinamide Formula: C22H29N5S MolecularWeight: 395.56416

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(NC(=S)C1=CC=NC=C1)N2N=C3C=CC=CC3=N2

Isomeric SMILES

CCCCCCCCCC(NC(=S)C1=CC=NC=C1)N2N=C3C=CC=CC3=N2

InChI

InChI=1S/C22H29N5S/c1-2-3-4-5-6-7-8-13-21(24-22(28)18-14-16-23-17-15-18)27-25-19-11-9-10-12-20(19)26-27/h9-12,14-17,21H,2-8,13H2,1H3,(H,24,28)