N-butan-2-yl-4-[[5-(2-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzamide

Systemtic Name: N-butan-2-yl-4-[[5-(2-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzamide Openeye Name: 4-[[5-(2-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]-N-sec-butyl-benzamide CAS Name: N-butan-2-yl-4-[[[5-(2-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]thio]methyl]benzamide IUPAC Name: N-butan-2-yl-4-[[5-(2-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzamide Traditional Name: 4-[[[5-(2-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]thio]methyl]-N-sec-butyl-benzamide Formula: C22H25ClN4OS MolecularWeight: 428.9781

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C1=CC=C(C=C1)CSC2=NN=C(N2CC)C3=CC=CC=C3Cl

Isomeric SMILES

CCC(C)NC(=O)C1=CC=C(C=C1)CSC2=NN=C(N2CC)C3=CC=CC=C3Cl

InChI

InChI=1S/C22H25ClN4OS/c1-4-15(3)24-21(28)17-12-10-16(11-13-17)14-29-22-26-25-20(27(22)5-2)18-8-6-7-9-19(18)23/h6-13,15H,4-5,14H2,1-3H3,(H,24,28)