N-[(E)-(3-nitrophenyl)methylideneamino]-5-(phenylcarbamoylamino)-1,2,3-thiadiazole-4-carboxamide

Systemtic Name: N-[(E)-(3-nitrophenyl)methylideneamino]-5-(phenylcarbamoylamino)-1,2,3-thiadiazole-4-carboxamide Openeye Name: N-[(E)-(3-nitrophenyl)methyleneamino]-5-(phenylcarbamoylamino)thiadiazole-4-carboxamide CAS Name: 5-[[anilino(oxo)methyl]amino]-N-[(E)-(3-nitrophenyl)methylideneamino]-4-thiadiazolecarboxamide IUPAC Name: N-[(E)-(3-nitrophenyl)methylideneamino]-5-(phenylcarbamoylamino)thiadiazole-4-carboxamide Traditional Name: N-[(E)-(3-nitrobenzylidene)amino]-5-(phenylcarbamoylamino)thiadiazole-4-carboxamide Formula: C17H13N7O4S MolecularWeight: 411.39462

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)NC2=C(N=NS2)C(=O)NN=CC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)NC2=C(N=NS2)C(=O)N/N=C/C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H13N7O4S/c25-15(22-18-10-11-5-4-8-13(9-11)24(27)28)14-16(29-23-21-14)20-17(26)19-12-6-2-1-3-7-12/h1-10H,(H,22,25)(H2,19,20,26)/b18-10+