N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[(1H-1,2,4-triazol-5-ylthio)methyl]benzamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[(1H-1,2,4-triazol-5-ylthio)methyl]benzamide Formula: C18H16N4O3S MolecularWeight: 368.40964

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)NC(=O)C3=CC=C(C=C3)CSC4=NC=NN4

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)NC(=O)C3=CC=C(C=C3)CSC4=NC=NN4

InChI

InChI=1S/C18H16N4O3S/c23-17(21-14-5-6-15-16(9-14)25-8-7-24-15)13-3-1-12(2-4-13)10-26-18-19-11-20-22-18/h1-6,9,11H,7-8,10H2,(H,21,23)(H,19,20,22)