2-[[5-(3-methylphenyl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylpropylcarbamoyl)propanamide

Systemtic Name: 2-[[5-(3-methylphenyl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylpropylcarbamoyl)propanamide Openeye Name: N-(isobutylcarbamoyl)-2-[[5-(m-tolyl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: 2-[[5-(3-methylphenyl)-4-propyl-1,2,4-triazol-3-yl]thio]-N-[(2-methylpropylamino)-oxomethyl]propanamide IUPAC Name: 2-[[5-(3-methylphenyl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylpropylcarbamoyl)propanamide Traditional Name: N-(isobutylcarbamoyl)-2-[[5-(m-tolyl)-4-propyl-1,2,4-triazol-3-yl]thio]propionamide Formula: C20H29N5O2S MolecularWeight: 403.54156

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=C1SC(C)C(=O)NC(=O)NCC(C)C)C2=CC(=CC=C2)C

Isomeric SMILES

CCCN1C(=NN=C1SC(C)C(=O)NC(=O)NCC(C)C)C2=CC(=CC=C2)C

InChI

InChI=1S/C20H29N5O2S/c1-6-10-25-17(16-9-7-8-14(4)11-16)23-24-20(25)28-15(5)18(26)22-19(27)21-12-13(2)3/h7-9,11,13,15H,6,10,12H2,1-5H3,(H2,21,22,26,27)