N-[3-[3-cyclopropyl-5-(5-nitropyridin-2-yl)sulfanyl-1,2,4-triazol-4-yl]phenyl]ethanamide

Systemtic Name: N-[3-[3-cyclopropyl-5-(5-nitropyridin-2-yl)sulfanyl-1,2,4-triazol-4-yl]phenyl]ethanamide Openeye Name: N-[3-[3-cyclopropyl-5-[(5-nitro-2-pyridyl)sulfanyl]-1,2,4-triazol-4-yl]phenyl]acetamide CAS Name: N-[3-[3-cyclopropyl-5-[(5-nitro-2-pyridinyl)thio]-1,2,4-triazol-4-yl]phenyl]acetamide IUPAC Name: N-[3-[3-cyclopropyl-5-(5-nitropyridin-2-yl)sulfanyl-1,2,4-triazol-4-yl]phenyl]acetamide Traditional Name: N-[3-[3-cyclopropyl-5-[(5-nitro-2-pyridyl)thio]-1,2,4-triazol-4-yl]phenyl]acetamide Formula: C18H16N6O3S MolecularWeight: 396.42304

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC(=C1)N2C(=NN=C2SC3=NC=C(C=C3)[N+](=O)[O-])C4CC4

Isomeric SMILES

CC(=O)NC1=CC=CC(=C1)N2C(=NN=C2SC3=NC=C(C=C3)[N+](=O)[O-])C4CC4

InChI

InChI=1S/C18H16N6O3S/c1-11(25)20-13-3-2-4-14(9-13)23-17(12-5-6-12)21-22-18(23)28-16-8-7-15(10-19-16)24(26)27/h2-4,7-10,12H,5-6H2,1H3,(H,20,25)