2-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-pyridine

Systemtic Name: 2-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-pyridine Openeye Name: 2-[(4-allyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-pyridine CAS Name: 2-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]-3-nitropyridine IUPAC Name: 2-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitropyridine Traditional Name: 2-[(4-allyl-5-methyl-1,2,4-triazol-3-yl)thio]-3-nitro-pyridine Formula: C11H11N5O2S MolecularWeight: 277.30234

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1CC=C)SC2=C(C=CC=N2)[N+](=O)[O-]

Isomeric SMILES

CC1=NN=C(N1CC=C)SC2=C(C=CC=N2)[N+](=O)[O-]

InChI

InChI=1S/C11H11N5O2S/c1-3-7-15-8(2)13-14-11(15)19-10-9(16(17)18)5-4-6-12-10/h3-6H,1,7H2,2H3