5-(3-nitrophenyl)-N-[(1-propyl-1,2,3,4-tetrazol-5-yl)carbamothioyl]furan-2-carboxamide

Systemtic Name: 5-(3-nitrophenyl)-N-[(1-propyl-1,2,3,4-tetrazol-5-yl)carbamothioyl]furan-2-carboxamide Openeye Name: 5-(3-nitrophenyl)-N-[(1-propyltetrazol-5-yl)carbamothioyl]furan-2-carboxamide CAS Name: 5-(3-nitrophenyl)-N-[[(1-propyl-5-tetrazolyl)amino]-sulfanylidenemethyl]-2-furancarboxamide IUPAC Name: 5-(3-nitrophenyl)-N-[(1-propyltetrazol-5-yl)carbamothioyl]furan-2-carboxamide Traditional Name: 5-(3-nitrophenyl)-N-[(1-propyltetrazol-5-yl)thiocarbamoyl]-2-furamide Formula: C16H15N7O4S MolecularWeight: 401.3998

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=N1)NC(=S)NC(=O)C2=CC=C(O2)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCCN1C(=NN=N1)NC(=S)NC(=O)C2=CC=C(O2)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H15N7O4S/c1-2-8-22-15(19-20-21-22)18-16(28)17-14(24)13-7-6-12(27-13)10-4-3-5-11(9-10)23(25)26/h3-7,9H,2,8H2,1H3,(H2,17,18,19,21,24,28)