4-[[4-azanyl-5-[(2,4-dimethylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-1-thiophen-2-yl-butan-1-one

Systemtic Name: 4-[[4-azanyl-5-[(2,4-dimethylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-1-thiophen-2-yl-butan-1-one Openeye Name: 4-[[4-amino-5-[(2,4-dimethylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-1-(2-thienyl)butan-1-one CAS Name: 4-[[4-amino-5-[(2,4-dimethylphenoxy)methyl]-1,2,4-triazol-3-yl]thio]-1-thiophen-2-yl-1-butanone IUPAC Name: 4-[[4-amino-5-[(2,4-dimethylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-1-thiophen-2-ylbutan-1-one Traditional Name: 4-[[4-amino-5-[(2,4-dimethylphenoxy)methyl]-1,2,4-triazol-3-yl]thio]-1-(2-thienyl)butan-1-one Formula: C19H22N4O2S2 MolecularWeight: 402.53358

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCC2=NN=C(N2N)SCCCC(=O)C3=CC=CS3)C

Isomeric SMILES

CC1=CC(=C(C=C1)OCC2=NN=C(N2N)SCCCC(=O)C3=CC=CS3)C

InChI

InChI=1S/C19H22N4O2S2/c1-13-7-8-16(14(2)11-13)25-12-18-21-22-19(23(18)20)27-10-3-5-15(24)17-6-4-9-26-17/h4,6-9,11H,3,5,10,12,20H2,1-2H3