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

Systemtic Name: 2-[[4-azanyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-fluorophenyl)ethanamide Openeye Name: 2-[(4-amino-5-benzyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-fluorophenyl)acetamide CAS Name: 2-[[4-amino-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-N-(4-fluorophenyl)acetamide IUPAC Name: 2-[(4-amino-5-benzyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-fluorophenyl)acetamide Traditional Name: 2-[(4-amino-5-benzyl-1,2,4-triazol-3-yl)thio]-N-(4-fluorophenyl)acetamide Formula: C17H16FN5OS MolecularWeight: 357.405243

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=NN=C(N2N)SCC(=O)NC3=CC=C(C=C3)F

Isomeric SMILES

C1=CC=C(C=C1)CC2=NN=C(N2N)SCC(=O)NC3=CC=C(C=C3)F

InChI

InChI=1S/C17H16FN5OS/c18-13-6-8-14(9-7-13)20-16(24)11-25-17-22-21-15(23(17)19)10-12-4-2-1-3-5-12/h1-9H,10-11,19H2,(H,20,24)