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

Systemtic Name: 1-[5-[(3-nitrophenyl)methylsulfanyl]-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]butan-1-amine Openeye Name: 1-[5-[(3-nitrophenyl)methylsulfanyl]-4-(tetrahydrofuran-2-ylmethyl)-1,2,4-triazol-3-yl]butan-1-amine CAS Name: 1-[5-[(3-nitrophenyl)methylthio]-4-(2-oxolanylmethyl)-1,2,4-triazol-3-yl]-1-butanamine IUPAC Name: 1-[5-[(3-nitrophenyl)methylsulfanyl]-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]butan-1-amine Traditional Name: 1-[5-[(3-nitrobenzyl)thio]-4-(tetrahydrofurfuryl)-1,2,4-triazol-3-yl]butylamine Formula: C18H25N5O3S MolecularWeight: 391.4878

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25N5O3S/c1-2-5-16(19)17-20-21-18(22(17)11-15-8-4-9-26-15)27-12-13-6-3-7-14(10-13)23(24)25/h3,6-7,10,15-16H,2,4-5,8-9,11-12,19H2,1H3