N-[(3-cyanophenyl)methylsulfanyl]-N-[[4-[4-(4-fluorophenyl)-1,2,4-triazol-3-yl]-2-methoxy-phenyl]methyl]propanamide

Systemtic Name: N-[(3-cyanophenyl)methylsulfanyl]-N-[[4-[4-(4-fluorophenyl)-1,2,4-triazol-3-yl]-2-methoxy-phenyl]methyl]propanamide Openeye Name: N-[(3-cyanophenyl)methylsulfanyl]-N-[[4-[4-(4-fluorophenyl)-1,2,4-triazol-3-yl]-2-methoxy-phenyl]methyl]propanamide CAS Name: N-[(3-cyanophenyl)methylthio]-N-[[4-[4-(4-fluorophenyl)-1,2,4-triazol-3-yl]-2-methoxyphenyl]methyl]propanamide IUPAC Name: N-[(3-cyanophenyl)methylsulfanyl]-N-[[4-[4-(4-fluorophenyl)-1,2,4-triazol-3-yl]-2-methoxyphenyl]methyl]propanamide Traditional Name: N-[(3-cyanobenzyl)thio]-N-[4-[4-(4-fluorophenyl)-1,2,4-triazol-3-yl]-2-methoxy-benzyl]propionamide Formula: C27H24FN5O2S MolecularWeight: 501.575163

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N(CC1=C(C=C(C=C1)C2=NN=CN2C3=CC=C(C=C3)F)OC)SCC4=CC=CC(=C4)C#N

Isomeric SMILES

CCC(=O)N(CC1=C(C=C(C=C1)C2=NN=CN2C3=CC=C(C=C3)F)OC)SCC4=CC=CC(=C4)C#N

InChI

InChI=1S/C27H24FN5O2S/c1-3-26(34)33(36-17-20-6-4-5-19(13-20)15-29)16-22-8-7-21(14-25(22)35-2)27-31-30-18-32(27)24-11-9-23(28)10-12-24/h4-14,18H,3,16-17H2,1-2H3