3-[(4-azanyl-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide

Systemtic Name: 3-[(4-azanyl-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide Openeye Name: 3-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide CAS Name: 3-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)thio]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide IUPAC Name: 3-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide Traditional Name: 3-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)thio]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propionamide Formula: C19H25N5O3S MolecularWeight: 403.4985

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=NN=C(N2N)SCCC(=O)NC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C1CCC(CC1)C2=NN=C(N2N)SCCC(=O)NC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C19H25N5O3S/c20-24-18(13-4-2-1-3-5-13)22-23-19(24)28-11-8-17(25)21-14-6-7-15-16(12-14)27-10-9-26-15/h6-7,12-13H,1-5,8-11,20H2,(H,21,25)