3-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-N-(3,4-dibutoxyphenyl)benzamide

Systemtic Name: 3-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-N-(3,4-dibutoxyphenyl)benzamide Openeye Name: 3-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-N-(3,4-dibutoxyphenyl)benzamide CAS Name: 3-[[(5-amino-1H-1,2,4-triazol-3-yl)thio]methyl]-N-(3,4-dibutoxyphenyl)benzamide IUPAC Name: 3-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-N-(3,4-dibutoxyphenyl)benzamide Traditional Name: 3-[[(5-amino-1H-1,2,4-triazol-3-yl)thio]methyl]-N-(3,4-dibutoxyphenyl)benzamide Formula: C24H31N5O3S MolecularWeight: 469.59964

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)CSC3=NNC(=N3)N)OCCCC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)CSC3=NNC(=N3)N)OCCCC

InChI

InChI=1S/C24H31N5O3S/c1-3-5-12-31-20-11-10-19(15-21(20)32-13-6-4-2)26-22(30)18-9-7-8-17(14-18)16-33-24-27-23(25)28-29-24/h7-11,14-15H,3-6,12-13,16H2,1-2H3,(H,26,30)(H3,25,27,28,29)