(3E)-1-(6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)-3-[1-(4-nitrophenyl)ethylidene]thiourea

Systemtic Name: (3E)-1-(6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)-3-[1-(4-nitrophenyl)ethylidene]thiourea Openeye Name: (3E)-1-(6-methyl-4-oxo-1H-pyrimidin-2-yl)-3-[1-(4-nitrophenyl)ethylidene]thiourea CAS Name: (3E)-1-(6-methyl-4-oxo-1H-pyrimidin-2-yl)-3-[1-(4-nitrophenyl)ethylidene]thiourea IUPAC Name: (3E)-1-(6-methyl-4-oxo-1H-pyrimidin-2-yl)-3-[1-(4-nitrophenyl)ethylidene]thiourea Traditional Name: (3E)-1-(4-keto-6-methyl-1H-pyrimidin-2-yl)-3-[1-(4-nitrophenyl)ethylidene]thiourea Formula: C14H13N5O3S MolecularWeight: 331.34972

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N=C(N1)NC(=S)N=C(C)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=O)N=C(N1)NC(=S)/N=C(\C)/C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H13N5O3S/c1-8-7-12(20)17-13(15-8)18-14(23)16-9(2)10-3-5-11(6-4-10)19(21)22/h3-7H,1-2H3,(H2,15,17,18,20,23)/b16-9+