N-[[5-(4-chloranyl-3-nitro-phenyl)furan-2-yl]methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine

Systemtic Name: N-[[5-(4-chloranyl-3-nitro-phenyl)furan-2-yl]methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine Openeye Name: N-[[5-(4-chloro-3-nitro-phenyl)-2-furyl]methyleneamino]-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-amine CAS Name: N-[[5-(4-chloro-3-nitrophenyl)-2-furanyl]methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine IUPAC Name: N-[[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine Traditional Name: [[5-(4-chloro-3-nitro-phenyl)-2-furyl]methyleneamino]-(5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-yl)amine Formula: C21H16ClN5O3S MolecularWeight: 453.90144

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C3=C(N=CN=C3S2)NN=CC4=CC=C(O4)C5=CC(=C(C=C5)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CCC2=C(C1)C3=C(N=CN=C3S2)NN=CC4=CC=C(O4)C5=CC(=C(C=C5)Cl)[N+](=O)[O-]

InChI

InChI=1S/C21H16ClN5O3S/c22-15-7-5-12(9-16(15)27(28)29)17-8-6-13(30-17)10-25-26-20-19-14-3-1-2-4-18(14)31-21(19)24-11-23-20/h5-11H,1-4H2,(H,23,24,26)