N-[(2-dodecyl-1,2,3,4-tetrazol-5-yl)-phenyl-methyl]-2-methylsulfanyl-pyridine-3-carboxamide

Systemtic Name: N-[(2-dodecyl-1,2,3,4-tetrazol-5-yl)-phenyl-methyl]-2-methylsulfanyl-pyridine-3-carboxamide Openeye Name: N-[(2-dodecyltetrazol-5-yl)-phenyl-methyl]-2-methylsulfanyl-pyridine-3-carboxamide CAS Name: N-[(2-dodecyl-5-tetrazolyl)-phenylmethyl]-2-(methylthio)-3-pyridinecarboxamide IUPAC Name: N-[(2-dodecyltetrazol-5-yl)-phenylmethyl]-2-methylsulfanylpyridine-3-carboxamide Traditional Name: N-[(2-lauryltetrazol-5-yl)-phenyl-methyl]-2-(methylthio)nicotinamide Formula: C27H38N6OS MolecularWeight: 494.69522

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCN1N=C(N=N1)C(C2=CC=CC=C2)NC(=O)C3=C(N=CC=C3)SC

Isomeric SMILES

CCCCCCCCCCCCN1N=C(N=N1)C(C2=CC=CC=C2)NC(=O)C3=C(N=CC=C3)SC

InChI

InChI=1S/C27H38N6OS/c1-3-4-5-6-7-8-9-10-11-15-21-33-31-25(30-32-33)24(22-17-13-12-14-18-22)29-26(34)23-19-16-20-28-27(23)35-2/h12-14,16-20,24H,3-11,15,21H2,1-2H3,(H,29,34)