4-butoxy-N-[4-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)phenyl]benzamide

Systemtic Name: 4-butoxy-N-[4-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)phenyl]benzamide Openeye Name: 4-butoxy-N-[4-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)phenyl]benzamide CAS Name: 4-butoxy-N-[4-[5-(ethylthio)-4-methyl-1,2,4-triazol-3-yl]phenyl]benzamide IUPAC Name: 4-butoxy-N-[4-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)phenyl]benzamide Traditional Name: 4-butoxy-N-[4-[5-(ethylthio)-4-methyl-1,2,4-triazol-3-yl]phenyl]benzamide Formula: C22H26N4O2S MolecularWeight: 410.53244

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)C3=NN=C(N3C)SCC

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)C3=NN=C(N3C)SCC

InChI

InChI=1S/C22H26N4O2S/c1-4-6-15-28-19-13-9-17(10-14-19)21(27)23-18-11-7-16(8-12-18)20-24-25-22(26(20)3)29-5-2/h7-14H,4-6,15H2,1-3H3,(H,23,27)