1-[3-methyl-1,1-bis(oxidanylidene)thiolan-3-yl]-3-(4-nitrophenyl)thiourea

Systemtic Name: 1-[3-methyl-1,1-bis(oxidanylidene)thiolan-3-yl]-3-(4-nitrophenyl)thiourea Openeye Name: 1-(3-methyl-1,1-dioxo-thiolan-3-yl)-3-(4-nitrophenyl)thiourea CAS Name: 1-(3-methyl-1,1-dioxo-3-thiolanyl)-3-(4-nitrophenyl)thiourea IUPAC Name: 1-(3-methyl-1,1-dioxothiolan-3-yl)-3-(4-nitrophenyl)thiourea Traditional Name: 1-(1,1-diketo-3-methyl-thiolan-3-yl)-3-(4-nitrophenyl)thiourea Formula: C12H15N3O4S2 MolecularWeight: 329.3952

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCS(=O)(=O)C1)NC(=S)NC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC1(CCS(=O)(=O)C1)NC(=S)NC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H15N3O4S2/c1-12(6-7-21(18,19)8-12)14-11(20)13-9-2-4-10(5-3-9)15(16)17/h2-5H,6-8H2,1H3,(H2,13,14,20)