N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide

Systemtic Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide Openeye Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide CAS Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-[(1H-1,2,4-triazol-5-ylthio)methyl]benzamide IUPAC Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide Traditional Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-[(1H-1,2,4-triazol-5-ylthio)methyl]benzamide Formula: C19H18N4O3S MolecularWeight: 382.43622

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)NC(=O)C3=CC=C(C=C3)CSC4=NC=NN4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)NC(=O)C3=CC=C(C=C3)CSC4=NC=NN4)OC1

InChI

InChI=1S/C19H18N4O3S/c24-18(22-15-6-7-16-17(10-15)26-9-1-8-25-16)14-4-2-13(3-5-14)11-27-19-20-12-21-23-19/h2-7,10,12H,1,8-9,11H2,(H,22,24)(H,20,21,23)