N-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]-5-(2-nitrophenyl)furan-2-carboxamide

Systemtic Name: N-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]-5-(2-nitrophenyl)furan-2-carboxamide Openeye Name: N-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]-5-(2-nitrophenyl)furan-2-carboxamide CAS Name: N-[4-[[(5-methyl-1H-1,2,4-triazol-3-yl)thio]methyl]phenyl]-5-(2-nitrophenyl)-2-furancarboxamide IUPAC Name: N-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]-5-(2-nitrophenyl)furan-2-carboxamide Traditional Name: N-[4-[[(5-methyl-1H-1,2,4-triazol-3-yl)thio]methyl]phenyl]-5-(2-nitrophenyl)-2-furamide Formula: C21H17N5O4S MolecularWeight: 435.45578

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NN1)SCC2=CC=C(C=C2)NC(=O)C3=CC=C(O3)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=NN1)SCC2=CC=C(C=C2)NC(=O)C3=CC=C(O3)C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C21H17N5O4S/c1-13-22-21(25-24-13)31-12-14-6-8-15(9-7-14)23-20(27)19-11-10-18(30-19)16-4-2-3-5-17(16)26(28)29/h2-11H,12H2,1H3,(H,23,27)(H,22,24,25)