N-[3-chloranyl-4-(2-methylpropoxy)phenyl]-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide

Systemtic Name: N-[3-chloranyl-4-(2-methylpropoxy)phenyl]-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide Openeye Name: N-(3-chloro-4-isobutoxy-phenyl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide CAS Name: N-[3-chloro-4-(2-methylpropoxy)phenyl]-4-[(1H-1,2,4-triazol-5-ylthio)methyl]benzamide IUPAC Name: N-[3-chloro-4-(2-methylpropoxy)phenyl]-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide Traditional Name: N-(3-chloro-4-isobutoxy-phenyl)-4-[(1H-1,2,4-triazol-5-ylthio)methyl]benzamide Formula: C20H21ClN4O2S MolecularWeight: 416.92434

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CSC3=NC=NN3)Cl

Isomeric SMILES

CC(C)COC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CSC3=NC=NN3)Cl

InChI

InChI=1S/C20H21ClN4O2S/c1-13(2)10-27-18-8-7-16(9-17(18)21)24-19(26)15-5-3-14(4-6-15)11-28-20-22-12-23-25-20/h3-9,12-13H,10-11H2,1-2H3,(H,24,26)(H,22,23,25)