1-[(E)-(3-nitro-4-pyrimidin-2-ylsulfanyl-phenyl)methylideneamino]-3-(oxolan-2-ylmethyl)thiourea

Systemtic Name: 1-[(E)-(3-nitro-4-pyrimidin-2-ylsulfanyl-phenyl)methylideneamino]-3-(oxolan-2-ylmethyl)thiourea Openeye Name: 1-[(E)-(3-nitro-4-pyrimidin-2-ylsulfanyl-phenyl)methyleneamino]-3-(tetrahydrofuran-2-ylmethyl)thiourea CAS Name: 1-[(E)-[3-nitro-4-(2-pyrimidinylthio)phenyl]methylideneamino]-3-(2-oxolanylmethyl)thiourea IUPAC Name: 1-[(E)-(3-nitro-4-pyrimidin-2-ylsulfanylphenyl)methylideneamino]-3-(oxolan-2-ylmethyl)thiourea Traditional Name: 1-[(E)-[3-nitro-4-(2-pyrimidylthio)benzylidene]amino]-3-(tetrahydrofurfuryl)thiourea Formula: C17H18N6O3S2 MolecularWeight: 418.49322

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC(=S)NN=CC2=CC(=C(C=C2)SC3=NC=CC=N3)[N+](=O)[O-]

Isomeric SMILES

C1CC(OC1)CNC(=S)N/N=C/C2=CC(=C(C=C2)SC3=NC=CC=N3)[N+](=O)[O-]

InChI

InChI=1S/C17H18N6O3S2/c24-23(25)14-9-12(4-5-15(14)28-17-18-6-2-7-19-17)10-21-22-16(27)20-11-13-3-1-8-26-13/h2,4-7,9-10,13H,1,3,8,11H2,(H2,20,22,27)/b21-10+