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

Systemtic Name: 1-[5-[(3-methoxyphenyl)methylsulfanyl]-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]propan-1-amine Openeye Name: 1-[5-[(3-methoxyphenyl)methylsulfanyl]-4-(tetrahydrofuran-2-ylmethyl)-1,2,4-triazol-3-yl]propan-1-amine CAS Name: 1-[5-[(3-methoxyphenyl)methylthio]-4-(2-oxolanylmethyl)-1,2,4-triazol-3-yl]-1-propanamine IUPAC Name: 1-[5-[(3-methoxyphenyl)methylsulfanyl]-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]propan-1-amine Traditional Name: 1-[5-(m-anisylthio)-4-(tetrahydrofurfuryl)-1,2,4-triazol-3-yl]propylamine Formula: C18H26N4O2S MolecularWeight: 362.48964

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N4O2S/c1-3-16(19)17-20-21-18(22(17)11-15-8-5-9-24-15)25-12-13-6-4-7-14(10-13)23-2/h4,6-7,10,15-16H,3,5,8-9,11-12,19H2,1-2H3