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

Systemtic Name: N-[(1R)-1-(benzotriazol-1-yl)hexyl]pyridine-4-carbothioamide Openeye Name: N-[(1R)-1-(benzotriazol-1-yl)hexyl]pyridine-4-carbothioamide CAS Name: N-[(1R)-1-(1-benzotriazolyl)hexyl]-4-pyridinecarbothioamide IUPAC Name: N-[(1R)-1-(benzotriazol-1-yl)hexyl]pyridine-4-carbothioamide Traditional Name: N-[(1R)-1-(benzotriazol-1-yl)hexyl]thioisonicotinamide Formula: C18H21N5S MolecularWeight: 339.45784

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCC[C@H](NC(=S)C1=CC=NC=C1)N2C3=CC=CC=C3N=N2

InChI

InChI=1S/C18H21N5S/c1-2-3-4-9-17(20-18(24)14-10-12-19-13-11-14)23-16-8-6-5-7-15(16)21-22-23/h5-8,10-13,17H,2-4,9H2,1H3,(H,20,24)/t17-/m1/s1