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

Systemtic Name: 2-[(4-azanyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethanamide Openeye Name: 2-[(4-amino-5-isopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide CAS Name: 2-[(4-amino-5-propan-2-yl-1,2,4-triazol-3-yl)thio]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide IUPAC Name: 2-[(4-amino-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide Traditional Name: 2-[(4-amino-5-isopropyl-1,2,4-triazol-3-yl)thio]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide Formula: C16H21N5O3S MolecularWeight: 363.43464

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NN=C(N1N)SCC(=O)NC2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CC(C)C1=NN=C(N1N)SCC(=O)NC2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C16H21N5O3S/c1-10(2)15-19-20-16(21(15)17)25-9-14(22)18-11-4-5-12-13(8-11)24-7-3-6-23-12/h4-5,8,10H,3,6-7,9,17H2,1-2H3,(H,18,22)