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

Systemtic Name: 2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethanamide Openeye Name: 2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide CAS Name: 2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)thio]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide IUPAC Name: 2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide Traditional Name: 2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)thio]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide Formula: C22H22N4O3S MolecularWeight: 422.50008

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)NC(=O)CSC3=NN(C(=N3)C4CC4)C5=CC=CC=C5)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)NC(=O)CSC3=NN(C(=N3)C4CC4)C5=CC=CC=C5)OC1

InChI

InChI=1S/C22H22N4O3S/c27-20(23-16-9-10-18-19(13-16)29-12-4-11-28-18)14-30-22-24-21(15-7-8-15)26(25-22)17-5-2-1-3-6-17/h1-3,5-6,9-10,13,15H,4,7-8,11-12,14H2,(H,23,27)