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

Systemtic Name: 2-[(4-azanyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(2,4-dimethylphenyl)methyl]-N-methyl-ethanamide Openeye Name: 2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(2,4-dimethylphenyl)methyl]-N-methyl-acetamide CAS Name: 2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)thio]-N-[(2,4-dimethylphenyl)methyl]-N-methylacetamide IUPAC Name: 2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(2,4-dimethylphenyl)methyl]-N-methylacetamide Traditional Name: 2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)thio]-N-(2,4-dimethylbenzyl)-N-methyl-acetamide Formula: C17H23N5OS MolecularWeight: 345.46242

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)CN(C)C(=O)CSC2=NN=C(N2N)C3CC3)C

Isomeric SMILES

CC1=CC(=C(C=C1)CN(C)C(=O)CSC2=NN=C(N2N)C3CC3)C

InChI

InChI=1S/C17H23N5OS/c1-11-4-5-14(12(2)8-11)9-21(3)15(23)10-24-17-20-19-16(22(17)18)13-6-7-13/h4-5,8,13H,6-7,9-10,18H2,1-3H3