(3-methylphenyl)methyl N'-[(E)-(5-nitrofuran-2-yl)methylideneamino]carbamimidothioate

Systemtic Name: (3-methylphenyl)methyl N'-[(E)-(5-nitrofuran-2-yl)methylideneamino]carbamimidothioate Openeye Name: 2-(m-tolylmethyl)-3-[(E)-(5-nitro-2-furyl)methyleneamino]isothiourea CAS Name: N'-[(E)-(5-nitro-2-furanyl)methylideneamino]carbamimidothioic acid (3-methylphenyl)methyl ester IUPAC Name: (3-methylphenyl)methyl N'-[(E)-(5-nitrofuran-2-yl)methylideneamino]carbamimidothioate Traditional Name: 2-(3-methylbenzyl)-3-[(E)-(5-nitro-2-furyl)methyleneamino]isothiourea Formula: C14H14N4O3S MolecularWeight: 318.35096

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CSC(=NN=CC2=CC=C(O2)[N+](=O)[O-])N

Isomeric SMILES

CC1=CC(=CC=C1)CS/C(=N/N=C/C2=CC=C(O2)[N+](=O)[O-])/N

InChI

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