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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCN1C(=NN=N1)C(C2=CC=CC=C2)NC(=O)C3=CC(=NC=C3)SC

Isomeric SMILES

CCCCCCCCCCCCN1C(=NN=N1)C(C2=CC=CC=C2)NC(=O)C3=CC(=NC=C3)SC

InChI

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