3-(2,4-dinitrophenyl)sulfanyl-5-(furan-2-yl)-4-(phenylmethyl)-1,2,4-triazole

Systemtic Name: 3-(2,4-dinitrophenyl)sulfanyl-5-(furan-2-yl)-4-(phenylmethyl)-1,2,4-triazole Openeye Name: 4-benzyl-3-(2,4-dinitrophenyl)sulfanyl-5-(2-furyl)-1,2,4-triazole CAS Name: 3-[(2,4-dinitrophenyl)thio]-5-(2-furanyl)-4-(phenylmethyl)-1,2,4-triazole IUPAC Name: 4-benzyl-3-(2,4-dinitrophenyl)sulfanyl-5-(furan-2-yl)-1,2,4-triazole Traditional Name: 4-benzyl-3-[(2,4-dinitrophenyl)thio]-5-(2-furyl)-1,2,4-triazole Formula: C19H13N5O5S MolecularWeight: 423.40202

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=NN=C2SC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])C4=CC=CO4

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=NN=C2SC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])C4=CC=CO4

InChI

InChI=1S/C19H13N5O5S/c25-23(26)14-8-9-17(15(11-14)24(27)28)30-19-21-20-18(16-7-4-10-29-16)22(19)12-13-5-2-1-3-6-13/h1-11H,12H2