1-[(3-methylphenyl)methyl]-3-[(E)-(5-nitrofuran-2-yl)methylideneamino]thiourea hydrobromide

Systemtic Name: 1-[(3-methylphenyl)methyl]-3-[(E)-(5-nitrofuran-2-yl)methylideneamino]thiourea hydrobromide Openeye Name: 1-(m-tolylmethyl)-3-[(E)-(5-nitro-2-furyl)methyleneamino]thiourea hydrobromide CAS Name: 1-[(3-methylphenyl)methyl]-3-[(E)-(5-nitro-2-furanyl)methylideneamino]thiourea hydrobromide IUPAC Name: 1-[(3-methylphenyl)methyl]-3-[(E)-(5-nitrofuran-2-yl)methylideneamino]thiourea hydrobromide Traditional Name: 1-(3-methylbenzyl)-3-[(E)-(5-nitro-2-furyl)methyleneamino]thiourea hydrobromide Formula: C14H15BrN4O3S MolecularWeight: 399.2629

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CNC(=S)NN=CC2=CC=C(O2)[N+](=O)[O-].Br

Isomeric SMILES

CC1=CC(=CC=C1)CNC(=S)N/N=C/C2=CC=C(O2)[N+](=O)[O-].Br

InChI

InChI=1S/C14H14N4O3S.BrH/c1-10-3-2-4-11(7-10)8-15-14(22)17-16-9-12-5-6-13(21-12)18(19)20;/h2-7,9H,8H2,1H3,(H2,15,17,22);1H/b16-9+;