1-[5-[(3-methoxyphenyl)methylsulfanyl]-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]butan-1-amine

Systemtic Name: 1-[5-[(3-methoxyphenyl)methylsulfanyl]-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]butan-1-amine Openeye Name: 1-[5-[(3-methoxyphenyl)methylsulfanyl]-4-(tetrahydrofuran-2-ylmethyl)-1,2,4-triazol-3-yl]butan-1-amine CAS Name: 1-[5-[(3-methoxyphenyl)methylthio]-4-(2-oxolanylmethyl)-1,2,4-triazol-3-yl]-1-butanamine IUPAC Name: 1-[5-[(3-methoxyphenyl)methylsulfanyl]-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]butan-1-amine Traditional Name: 1-[5-(m-anisylthio)-4-(tetrahydrofurfuryl)-1,2,4-triazol-3-yl]butylamine Formula: C19H28N4O2S MolecularWeight: 376.51622

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=NN=C(N1CC2CCCO2)SCC3=CC(=CC=C3)OC)N

Isomeric SMILES

CCCC(C1=NN=C(N1CC2CCCO2)SCC3=CC(=CC=C3)OC)N

InChI

InChI=1S/C19H28N4O2S/c1-3-6-17(20)18-21-22-19(23(18)12-16-9-5-10-25-16)26-13-14-7-4-8-15(11-14)24-2/h4,7-8,11,16-17H,3,5-6,9-10,12-13,20H2,1-2H3