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

Systemtic Name: 2-[[4-butyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylpropylcarbamoyl)ethanamide Openeye Name: 2-[[4-butyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(isobutylcarbamoyl)acetamide CAS Name: 2-[[4-butyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-N-[(2-methylpropylamino)-oxomethyl]acetamide IUPAC Name: 2-[[4-butyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylpropylcarbamoyl)acetamide Traditional Name: 2-[[4-butyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-N-(isobutylcarbamoyl)acetamide Formula: C20H29N5O3S MolecularWeight: 419.54096

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NN=C1SCC(=O)NC(=O)NCC(C)C)C2=CC=C(C=C2)OC

Isomeric SMILES

CCCCN1C(=NN=C1SCC(=O)NC(=O)NCC(C)C)C2=CC=C(C=C2)OC

InChI

InChI=1S/C20H29N5O3S/c1-5-6-11-25-18(15-7-9-16(28-4)10-8-15)23-24-20(25)29-13-17(26)22-19(27)21-12-14(2)3/h7-10,14H,5-6,11-13H2,1-4H3,(H2,21,22,26,27)