3-[5-[(4-methylsulfanylphenyl)methylsulfanyl]-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]propanamide

Systemtic Name: 3-[5-[(4-methylsulfanylphenyl)methylsulfanyl]-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]propanamide Openeye Name: 3-[5-[(4-methylsulfanylphenyl)methylsulfanyl]-4-(tetrahydrofuran-2-ylmethyl)-1,2,4-triazol-3-yl]propanamide CAS Name: 3-[5-[[4-(methylthio)phenyl]methylthio]-4-(2-oxolanylmethyl)-1,2,4-triazol-3-yl]propanamide IUPAC Name: 3-[5-[(4-methylsulfanylphenyl)methylsulfanyl]-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]propanamide Traditional Name: 3-[5-[[4-(methylthio)benzyl]thio]-4-(tetrahydrofurfuryl)-1,2,4-triazol-3-yl]propionamide Formula: C18H24N4O2S2 MolecularWeight: 392.53876

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)CSC2=NN=C(N2CC3CCCO3)CCC(=O)N

Isomeric SMILES

CSC1=CC=C(C=C1)CSC2=NN=C(N2CC3CCCO3)CCC(=O)N

InChI

InChI=1S/C18H24N4O2S2/c1-25-15-6-4-13(5-7-15)12-26-18-21-20-17(9-8-16(19)23)22(18)11-14-3-2-10-24-14/h4-7,14H,2-3,8-12H2,1H3,(H2,19,23)