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

Systemtic Name: 2-[[4-azanyl-5-(3-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[4-[(2S)-butan-2-yl]phenyl]ethanamide Openeye Name: 2-[[4-amino-5-(3-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[4-[(1S)-1-methylpropyl]phenyl]acetamide CAS Name: 2-[[4-amino-5-(3-fluorophenyl)-1,2,4-triazol-3-yl]thio]-N-[4-[(2S)-butan-2-yl]phenyl]acetamide IUPAC Name: 2-[[4-amino-5-(3-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[4-[(2S)-butan-2-yl]phenyl]acetamide Traditional Name: 2-[[4-amino-5-(3-fluorophenyl)-1,2,4-triazol-3-yl]thio]-N-[4-[(1S)-1-methylpropyl]phenyl]acetamide Formula: C20H22FN5OS MolecularWeight: 399.484983

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC[C@H](C)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2N)C3=CC(=CC=C3)F

InChI

InChI=1S/C20H22FN5OS/c1-3-13(2)14-7-9-17(10-8-14)23-18(27)12-28-20-25-24-19(26(20)22)15-5-4-6-16(21)11-15/h4-11,13H,3,12,22H2,1-2H3,(H,23,27)/t13-/m0/s1