N-[(E)-(3-nitro-4-pyrimidin-2-ylsulfanyl-phenyl)methylideneamino]-1H-indole-3-carboxamide

Systemtic Name: N-[(E)-(3-nitro-4-pyrimidin-2-ylsulfanyl-phenyl)methylideneamino]-1H-indole-3-carboxamide Openeye Name: N-[(E)-(3-nitro-4-pyrimidin-2-ylsulfanyl-phenyl)methyleneamino]-1H-indole-3-carboxamide CAS Name: N-[(E)-[3-nitro-4-(2-pyrimidinylthio)phenyl]methylideneamino]-1H-indole-3-carboxamide IUPAC Name: N-[(E)-(3-nitro-4-pyrimidin-2-ylsulfanylphenyl)methylideneamino]-1H-indole-3-carboxamide Traditional Name: N-[(E)-[3-nitro-4-(2-pyrimidylthio)benzylidene]amino]-1H-indole-3-carboxamide Formula: C20H14N6O3S MolecularWeight: 418.42856

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)C(=O)NN=CC3=CC(=C(C=C3)SC4=NC=CC=N4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)C(=O)N/N=C/C3=CC(=C(C=C3)SC4=NC=CC=N4)[N+](=O)[O-]

InChI

InChI=1S/C20H14N6O3S/c27-19(15-12-23-16-5-2-1-4-14(15)16)25-24-11-13-6-7-18(17(10-13)26(28)29)30-20-21-8-3-9-22-20/h1-12,23H,(H,25,27)/b24-11+