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

Systemtic Name: N-[(2-butyl-1,2,3,4-tetrazol-5-yl)carbamothioyl]-5-(3-nitrophenyl)furan-2-carboxamide Openeye Name: N-[(2-butyltetrazol-5-yl)carbamothioyl]-5-(3-nitrophenyl)furan-2-carboxamide CAS Name: N-[[(2-butyl-5-tetrazolyl)amino]-sulfanylidenemethyl]-5-(3-nitrophenyl)-2-furancarboxamide IUPAC Name: N-[(2-butyltetrazol-5-yl)carbamothioyl]-5-(3-nitrophenyl)furan-2-carboxamide Traditional Name: N-[(2-butyltetrazol-5-yl)thiocarbamoyl]-5-(3-nitrophenyl)-2-furamide Formula: C17H17N7O4S MolecularWeight: 415.42638

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1N=C(N=N1)NC(=S)NC(=O)C2=CC=C(O2)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCN1N=C(N=N1)NC(=S)NC(=O)C2=CC=C(O2)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H17N7O4S/c1-2-3-9-23-21-16(20-22-23)19-17(29)18-15(25)14-8-7-13(28-14)11-5-4-6-12(10-11)24(26)27/h4-8,10H,2-3,9H2,1H3,(H2,18,19,21,25,29)