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

Systemtic Name: 2-[[4-azanyl-5-(3-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(1R)-1-(4-methylphenyl)propyl]ethanamide Openeye Name: 2-[[4-amino-5-(3-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(1R)-1-(p-tolyl)propyl]acetamide CAS Name: 2-[[4-amino-5-(3-fluorophenyl)-1,2,4-triazol-3-yl]thio]-N-[(1R)-1-(4-methylphenyl)propyl]acetamide IUPAC Name: 2-[[4-amino-5-(3-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(1R)-1-(4-methylphenyl)propyl]acetamide Traditional Name: 2-[[4-amino-5-(3-fluorophenyl)-1,2,4-triazol-3-yl]thio]-N-[(1R)-1-(p-tolyl)propyl]acetamide Formula: C20H22FN5OS MolecularWeight: 399.484983

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22FN5OS/c1-3-17(14-9-7-13(2)8-10-14)23-18(27)12-28-20-25-24-19(26(20)22)15-5-4-6-16(21)11-15/h4-11,17H,3,12,22H2,1-2H3,(H,23,27)/t17-/m1/s1