1-(4-methylphenyl)-3-[(E)-(5-nitrofuran-2-yl)methylideneamino]thiourea

Systemtic Name: 1-(4-methylphenyl)-3-[(E)-(5-nitrofuran-2-yl)methylideneamino]thiourea Openeye Name: 1-[(E)-(5-nitro-2-furyl)methyleneamino]-3-(p-tolyl)thiourea CAS Name: 1-(4-methylphenyl)-3-[(E)-(5-nitro-2-furanyl)methylideneamino]thiourea IUPAC Name: 1-(4-methylphenyl)-3-[(E)-(5-nitrofuran-2-yl)methylideneamino]thiourea Traditional Name: 1-[(E)-(5-nitro-2-furyl)methyleneamino]-3-(p-tolyl)thiourea Formula: C13H12N4O3S MolecularWeight: 304.32438

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12N4O3S/c1-9-2-4-10(5-3-9)15-13(21)16-14-8-11-6-7-12(20-11)17(18)19/h2-8H,1H3,(H2,15,16,21)/b14-8+