N-methyl-2-(4-nitrophenyl)ethanamine; 5-phenyl-3-propoxy-1,2,4-thiadiazole

Systemtic Name: N-methyl-2-(4-nitrophenyl)ethanamine; 5-phenyl-3-propoxy-1,2,4-thiadiazole Openeye Name: N-methyl-2-(4-nitrophenyl)ethanamine; 5-phenyl-3-propoxy-1,2,4-thiadiazole CAS Name: N-methyl-2-(4-nitrophenyl)ethanamine; 5-phenyl-3-propoxy-1,2,4-thiadiazole IUPAC Name: N-methyl-2-(4-nitrophenyl)ethanamine; 5-phenyl-3-propoxy-1,2,4-thiadiazole Traditional Name: methyl-[2-(4-nitrophenyl)ethyl]amine; 5-phenyl-3-propoxy-1,2,4-thiadiazole Formula: C20H24N4O3S MolecularWeight: 400.49456

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=NSC(=N1)C2=CC=CC=C2.CNCCC1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

CCCOC1=NSC(=N1)C2=CC=CC=C2.CNCCC1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C11H12N2OS.C9H12N2O2/c1-2-8-14-11-12-10(15-13-11)9-6-4-3-5-7-9;1-10-7-6-8-2-4-9(5-3-8)11(12)13/h3-7H,2,8H2,1H3;2-5,10H,6-7H2,1H3