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

Systemtic Name: 5-nitro-2-[[4-phenyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]pyridine Openeye Name: 2-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-5-nitro-pyridine CAS Name: 5-nitro-2-[[4-phenyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]pyridine IUPAC Name: 2-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-5-nitropyridine Traditional Name: 2-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)thio]-5-nitro-pyridine Formula: C20H15N5O2S MolecularWeight: 389.4304

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=NN=C(N2C3=CC=CC=C3)SC4=NC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CC2=NN=C(N2C3=CC=CC=C3)SC4=NC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H15N5O2S/c26-25(27)17-11-12-19(21-14-17)28-20-23-22-18(13-15-7-3-1-4-8-15)24(20)16-9-5-2-6-10-16/h1-12,14H,13H2