N-[4-(4-ethyl-5-phenacylsulfanyl-1,2,4-triazol-3-yl)phenyl]propanamide

Systemtic Name: N-[4-(4-ethyl-5-phenacylsulfanyl-1,2,4-triazol-3-yl)phenyl]propanamide Openeye Name: N-[4-(4-ethyl-5-phenacylsulfanyl-1,2,4-triazol-3-yl)phenyl]propanamide CAS Name: N-[4-[4-ethyl-5-(phenacylthio)-1,2,4-triazol-3-yl]phenyl]propanamide IUPAC Name: N-[4-(4-ethyl-5-phenacylsulfanyl-1,2,4-triazol-3-yl)phenyl]propanamide Traditional Name: N-[4-[4-ethyl-5-(phenacylthio)-1,2,4-triazol-3-yl]phenyl]propionamide Formula: C21H22N4O2S MolecularWeight: 394.48998

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC=C(C=C1)C2=NN=C(N2CC)SCC(=O)C3=CC=CC=C3

Isomeric SMILES

CCC(=O)NC1=CC=C(C=C1)C2=NN=C(N2CC)SCC(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H22N4O2S/c1-3-19(27)22-17-12-10-16(11-13-17)20-23-24-21(25(20)4-2)28-14-18(26)15-8-6-5-7-9-15/h5-13H,3-4,14H2,1-2H3,(H,22,27)