1-(2-methoxy-5-nitro-phenyl)-N-methyl-N-[(1-propyl-1,2,3,4-tetrazol-5-yl)sulfanyloxymethyl]methanamine

Systemtic Name: 1-(2-methoxy-5-nitro-phenyl)-N-methyl-N-[(1-propyl-1,2,3,4-tetrazol-5-yl)sulfanyloxymethyl]methanamine Openeye Name: 1-(2-methoxy-5-nitro-phenyl)-N-methyl-N-[(1-propyltetrazol-5-yl)sulfanyloxymethyl]methanamine CAS Name: 1-propyl-5-tetrazolesulfenic acid [(2-methoxy-5-nitrophenyl)methyl-methylamino]methyl ester IUPAC Name: 1-(2-methoxy-5-nitrophenyl)-N-methyl-N-[(1-propyltetrazol-5-yl)sulfanyloxymethyl]methanamine Traditional Name: (2-methoxy-5-nitro-benzyl)-methyl-[[(1-propyltetrazol-5-yl)thio]oxymethyl]amine Formula: C14H20N6O4S MolecularWeight: 368.4114

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=N1)SOCN(C)CC2=C(C=CC(=C2)[N+](=O)[O-])OC

Isomeric SMILES

CCCN1C(=NN=N1)SOCN(C)CC2=C(C=CC(=C2)[N+](=O)[O-])OC

InChI

InChI=1S/C14H20N6O4S/c1-4-7-19-14(15-16-17-19)25-24-10-18(2)9-11-8-12(20(21)22)5-6-13(11)23-3/h5-6,8H,4,7,9-10H2,1-3H3