2-[(4-azanyl-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-benzodioxol-5-yl)ethanamide

Systemtic Name: 2-[(4-azanyl-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-benzodioxol-5-yl)ethanamide Openeye Name: 2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-benzodioxol-5-yl)acetamide CAS Name: 2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)thio]-N-(1,3-benzodioxol-5-yl)acetamide IUPAC Name: 2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-benzodioxol-5-yl)acetamide Traditional Name: 2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)thio]-N-(1,3-benzodioxol-5-yl)acetamide Formula: C17H21N5O3S MolecularWeight: 375.44534

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=NN=C(N2N)SCC(=O)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CCC(CC1)C2=NN=C(N2N)SCC(=O)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C17H21N5O3S/c18-22-16(11-4-2-1-3-5-11)20-21-17(22)26-9-15(23)19-12-6-7-13-14(8-12)25-10-24-13/h6-8,11H,1-5,9-10,18H2,(H,19,23)