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

Systemtic Name: 1-[5-[(3-nitrophenyl)methylsulfanyl]-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]propan-1-amine Openeye Name: 1-[5-[(3-nitrophenyl)methylsulfanyl]-4-(tetrahydrofuran-2-ylmethyl)-1,2,4-triazol-3-yl]propan-1-amine CAS Name: 1-[5-[(3-nitrophenyl)methylthio]-4-(2-oxolanylmethyl)-1,2,4-triazol-3-yl]-1-propanamine IUPAC Name: 1-[5-[(3-nitrophenyl)methylsulfanyl]-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]propan-1-amine Traditional Name: 1-[5-[(3-nitrobenzyl)thio]-4-(tetrahydrofurfuryl)-1,2,4-triazol-3-yl]propylamine Formula: C17H23N5O3S MolecularWeight: 377.46122

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=NN=C(N1CC2CCCO2)SCC3=CC(=CC=C3)[N+](=O)[O-])N

Isomeric SMILES

CCC(C1=NN=C(N1CC2CCCO2)SCC3=CC(=CC=C3)[N+](=O)[O-])N

InChI

InChI=1S/C17H23N5O3S/c1-2-15(18)16-19-20-17(21(16)10-14-7-4-8-25-14)26-11-12-5-3-6-13(9-12)22(23)24/h3,5-6,9,14-15H,2,4,7-8,10-11,18H2,1H3