3-[[5-(4-methoxyphenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methyl-4-oxidanylidene-pentan-2-yl)propanamide

Systemtic Name: 3-[[5-(4-methoxyphenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methyl-4-oxidanylidene-pentan-2-yl)propanamide Openeye Name: N-(1,1-dimethyl-3-oxo-butyl)-3-[[4-isopropyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: 3-[[5-(4-methoxyphenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]thio]-N-(2-methyl-4-oxopentan-2-yl)propanamide IUPAC Name: 3-[[5-(4-methoxyphenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methyl-4-oxopentan-2-yl)propanamide Traditional Name: 3-[[4-isopropyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-N-(3-keto-1,1-dimethyl-butyl)propionamide Formula: C21H30N4O3S MolecularWeight: 418.5529

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=NN=C1SCCC(=O)NC(C)(C)CC(=O)C)C2=CC=C(C=C2)OC

Isomeric SMILES

CC(C)N1C(=NN=C1SCCC(=O)NC(C)(C)CC(=O)C)C2=CC=C(C=C2)OC

InChI

InChI=1S/C21H30N4O3S/c1-14(2)25-19(16-7-9-17(28-6)10-8-16)23-24-20(25)29-12-11-18(27)22-21(4,5)13-15(3)26/h7-10,14H,11-13H2,1-6H3,(H,22,27)