2-[[4-butyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(phenylmethyl)propanamide

Systemtic Name: 2-[[4-butyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(phenylmethyl)propanamide Openeye Name: N-benzyl-2-[[4-butyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: 2-[[4-butyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-N-(phenylmethyl)propanamide IUPAC Name: N-benzyl-2-[[4-butyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide Traditional Name: N-benzyl-2-[[4-butyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]propionamide Formula: C23H28N4O2S MolecularWeight: 424.55902

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NN=C1SC(C)C(=O)NCC2=CC=CC=C2)C3=CC=C(C=C3)OC

Isomeric SMILES

CCCCN1C(=NN=C1SC(C)C(=O)NCC2=CC=CC=C2)C3=CC=C(C=C3)OC

InChI

InChI=1S/C23H28N4O2S/c1-4-5-15-27-21(19-11-13-20(29-3)14-12-19)25-26-23(27)30-17(2)22(28)24-16-18-9-7-6-8-10-18/h6-14,17H,4-5,15-16H2,1-3H3,(H,24,28)