3-[5-(2,4-dinitrophenyl)sulfanyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]pyridine

Systemtic Name: 3-[5-(2,4-dinitrophenyl)sulfanyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]pyridine Openeye Name: 3-[4-benzyl-5-(2,4-dinitrophenyl)sulfanyl-1,2,4-triazol-3-yl]pyridine CAS Name: 3-[5-[(2,4-dinitrophenyl)thio]-4-(phenylmethyl)-1,2,4-triazol-3-yl]pyridine IUPAC Name: 3-[4-benzyl-5-(2,4-dinitrophenyl)sulfanyl-1,2,4-triazol-3-yl]pyridine Traditional Name: 3-[4-benzyl-5-[(2,4-dinitrophenyl)thio]-1,2,4-triazol-3-yl]pyridine Formula: C20H14N6O4S MolecularWeight: 434.42796

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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=CN=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C20H14N6O4S/c27-25(28)16-8-9-18(17(11-16)26(29)30)31-20-23-22-19(15-7-4-10-21-12-15)24(20)13-14-5-2-1-3-6-14/h1-12H,13H2