(1Z)-1-(1-azanylpentylidene)-3-(2,4-dinitrophenyl)thiourea

Systemtic Name: (1Z)-1-(1-azanylpentylidene)-3-(2,4-dinitrophenyl)thiourea Openeye Name: (1Z)-1-(1-aminopentylidene)-3-(2,4-dinitrophenyl)thiourea CAS Name: (1Z)-1-(1-aminopentylidene)-3-(2,4-dinitrophenyl)thiourea IUPAC Name: (1Z)-1-(1-aminopentylidene)-3-(2,4-dinitrophenyl)thiourea Traditional Name: (1Z)-1-(1-aminopentylidene)-3-(2,4-dinitrophenyl)thiourea Formula: C12H15N5O4S MolecularWeight: 325.3436

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=NC(=S)NC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])N

Isomeric SMILES

CCCC/C(=N/C(=S)NC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])/N

InChI

InChI=1S/C12H15N5O4S/c1-2-3-4-11(13)15-12(22)14-9-6-5-8(16(18)19)7-10(9)17(20)21/h5-7H,2-4H2,1H3,(H3,13,14,15,22)