3-[[4-azanyl-5-[(5-methyl-2-propan-2-yl-phenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]propanamide

Systemtic Name: 3-[[4-azanyl-5-[(5-methyl-2-propan-2-yl-phenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: 3-[[4-amino-5-[(2-isopropyl-5-methyl-phenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: 3-[[4-amino-5-[(5-methyl-2-propan-2-ylphenoxy)methyl]-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: 3-[[4-amino-5-[(5-methyl-2-propan-2-ylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]propanamide Traditional Name: 3-[[4-amino-5-[(2-isopropyl-5-methyl-phenoxy)methyl]-1,2,4-triazol-3-yl]thio]propionamide Formula: C16H23N5O2S MolecularWeight: 349.45112

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C)C)OCC2=NN=C(N2N)SCCC(=O)N

Isomeric SMILES

CC1=CC(=C(C=C1)C(C)C)OCC2=NN=C(N2N)SCCC(=O)N

InChI

InChI=1S/C16H23N5O2S/c1-10(2)12-5-4-11(3)8-13(12)23-9-15-19-20-16(21(15)18)24-7-6-14(17)22/h4-5,8,10H,6-7,9,18H2,1-3H3,(H2,17,22)