N-(3,4-dibutoxyphenyl)-3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide

Systemtic Name: N-(3,4-dibutoxyphenyl)-3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide Openeye Name: N-(3,4-dibutoxyphenyl)-3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide CAS Name: N-(3,4-dibutoxyphenyl)-3-[(1H-1,2,4-triazol-5-ylthio)methyl]benzamide IUPAC Name: N-(3,4-dibutoxyphenyl)-3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide Traditional Name: N-(3,4-dibutoxyphenyl)-3-[(1H-1,2,4-triazol-5-ylthio)methyl]benzamide Formula: C24H30N4O3S MolecularWeight: 454.585

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)CSC3=NC=NN3)OCCCC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)CSC3=NC=NN3)OCCCC

InChI

InChI=1S/C24H30N4O3S/c1-3-5-12-30-21-11-10-20(15-22(21)31-13-6-4-2)27-23(29)19-9-7-8-18(14-19)16-32-24-25-17-26-28-24/h7-11,14-15,17H,3-6,12-13,16H2,1-2H3,(H,27,29)(H,25,26,28)