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

Systemtic Name: 2-[(4-cyclopropyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-pyridine Openeye Name: 2-[(4-cyclopropyl-5-isopropyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-pyridine CAS Name: 2-[(4-cyclopropyl-5-propan-2-yl-1,2,4-triazol-3-yl)thio]-3-nitropyridine IUPAC Name: 2-[(4-cyclopropyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-3-nitropyridine Traditional Name: 2-[(4-cyclopropyl-5-isopropyl-1,2,4-triazol-3-yl)thio]-3-nitro-pyridine Formula: C13H15N5O2S MolecularWeight: 305.3555

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NN=C(N1C2CC2)SC3=C(C=CC=N3)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=NN=C(N1C2CC2)SC3=C(C=CC=N3)[N+](=O)[O-]

InChI

InChI=1S/C13H15N5O2S/c1-8(2)11-15-16-13(17(11)9-5-6-9)21-12-10(18(19)20)4-3-7-14-12/h3-4,7-9H,5-6H2,1-2H3