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

Systemtic Name: 2-[(4-azanyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methylsulfonylphenyl)ethanamide Openeye Name: 2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methylsulfonylphenyl)acetamide CAS Name: 2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)thio]-N-(2-methylsulfonylphenyl)acetamide IUPAC Name: 2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methylsulfonylphenyl)acetamide Traditional Name: 2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)thio]-N-(2-mesylphenyl)acetamide Formula: C14H17N5O3S2 MolecularWeight: 367.44648

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC=C1NC(=O)CSC2=NN=C(N2N)C3CC3

Isomeric SMILES

CS(=O)(=O)C1=CC=CC=C1NC(=O)CSC2=NN=C(N2N)C3CC3

InChI

InChI=1S/C14H17N5O3S2/c1-24(21,22)11-5-3-2-4-10(11)16-12(20)8-23-14-18-17-13(19(14)15)9-6-7-9/h2-5,9H,6-8,15H2,1H3,(H,16,20)