4-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-[4-chloranyl-3-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanoylamino]phenyl]butanamide

Systemtic Name: 4-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-[4-chloranyl-3-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanoylamino]phenyl]butanamide Openeye Name: 4-[2,4-bis(1,1-dimethylpropyl)phenoxy]-N-[4-chloro-3-[[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]amino]phenyl]butanamide CAS Name: 4-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-[4-chloro-3-[[1-oxo-2-(1H-1,2,4-triazol-5-ylthio)ethyl]amino]phenyl]butanamide IUPAC Name: 4-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-[4-chloro-3-[[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]amino]phenyl]butanamide Traditional Name: N-[4-chloro-3-[[2-(1H-1,2,4-triazol-5-ylthio)acetyl]amino]phenyl]-4-(2,4-ditert-amylphenoxy)butyramide Formula: C30H40ClN5O3S MolecularWeight: 586.1883

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=CC(=C(C=C1)OCCCC(=O)NC2=CC(=C(C=C2)Cl)NC(=O)CSC3=NC=NN3)C(C)(C)CC

Isomeric SMILES

CCC(C)(C)C1=CC(=C(C=C1)OCCCC(=O)NC2=CC(=C(C=C2)Cl)NC(=O)CSC3=NC=NN3)C(C)(C)CC

InChI

InChI=1S/C30H40ClN5O3S/c1-7-29(3,4)20-11-14-25(22(16-20)30(5,6)8-2)39-15-9-10-26(37)34-21-12-13-23(31)24(17-21)35-27(38)18-40-28-32-19-33-36-28/h11-14,16-17,19H,7-10,15,18H2,1-6H3,(H,34,37)(H,35,38)(H,32,33,36)