N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbamoyl)-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbamoyl)-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbamoyl)-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-oxomethyl]-2-[(1-phenyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbamoyl)-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbamoyl)-2-[(1-phenyl-1,2,4-triazol-3-yl)thio]acetamide Formula: C20H19N5O4S MolecularWeight: 425.46096

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)NC(=O)NC(=O)CSC3=NN(C=N3)C4=CC=CC=C4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)NC(=O)NC(=O)CSC3=NN(C=N3)C4=CC=CC=C4)OC1

InChI

InChI=1S/C20H19N5O4S/c26-18(12-30-20-21-13-25(24-20)15-5-2-1-3-6-15)23-19(27)22-14-7-8-16-17(11-14)29-10-4-9-28-16/h1-3,5-8,11,13H,4,9-10,12H2,(H2,22,23,26,27)