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

Systemtic Name: 4-[[4-azanyl-5-[(4-propan-2-ylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]butan-2-one Openeye Name: 4-[[4-amino-5-[(4-isopropylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]butan-2-one CAS Name: 4-[[4-amino-5-[(4-propan-2-ylphenoxy)methyl]-1,2,4-triazol-3-yl]thio]-2-butanone IUPAC Name: 4-[[4-amino-5-[(4-propan-2-ylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]butan-2-one Traditional Name: 4-[[4-amino-5-[(4-isopropylphenoxy)methyl]-1,2,4-triazol-3-yl]thio]butan-2-one Formula: C16H22N4O2S MolecularWeight: 334.43648

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)OCC2=NN=C(N2N)SCCC(=O)C

Isomeric SMILES

CC(C)C1=CC=C(C=C1)OCC2=NN=C(N2N)SCCC(=O)C

InChI

InChI=1S/C16H22N4O2S/c1-11(2)13-4-6-14(7-5-13)22-10-15-18-19-16(20(15)17)23-9-8-12(3)21/h4-7,11H,8-10,17H2,1-3H3