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

Systemtic Name: 2-[[4-azanyl-5-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2,3-dimethylphenyl)ethanamide Openeye Name: 2-[[4-amino-5-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2,3-dimethylphenyl)acetamide CAS Name: 2-[[4-amino-5-(4-fluorophenyl)-1,2,4-triazol-3-yl]thio]-N-(2,3-dimethylphenyl)acetamide IUPAC Name: 2-[[4-amino-5-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2,3-dimethylphenyl)acetamide Traditional Name: 2-[[4-amino-5-(4-fluorophenyl)-1,2,4-triazol-3-yl]thio]-N-(2,3-dimethylphenyl)acetamide Formula: C18H18FN5OS MolecularWeight: 371.431823

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)CSC2=NN=C(N2N)C3=CC=C(C=C3)F)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)CSC2=NN=C(N2N)C3=CC=C(C=C3)F)C

InChI

InChI=1S/C18H18FN5OS/c1-11-4-3-5-15(12(11)2)21-16(25)10-26-18-23-22-17(24(18)20)13-6-8-14(19)9-7-13/h3-9H,10,20H2,1-2H3,(H,21,25)