[3-nitro-4-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]phenyl]-phenyl-methanone

Systemtic Name: [3-nitro-4-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]phenyl]-phenyl-methanone Openeye Name: [3-nitro-4-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]phenyl]-phenyl-methanone CAS Name: [3-nitro-4-[(5-propyl-1H-1,2,4-triazol-3-yl)thio]phenyl]-phenylmethanone IUPAC Name: [3-nitro-4-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]phenyl]-phenylmethanone Traditional Name: [3-nitro-4-[(5-propyl-1H-1,2,4-triazol-3-yl)thio]phenyl]-phenyl-methanone Formula: C18H16N4O3S MolecularWeight: 368.40964

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=NN1)SC2=C(C=C(C=C2)C(=O)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCCC1=NC(=NN1)SC2=C(C=C(C=C2)C(=O)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H16N4O3S/c1-2-6-16-19-18(21-20-16)26-15-10-9-13(11-14(15)22(24)25)17(23)12-7-4-3-5-8-12/h3-5,7-11H,2,6H2,1H3,(H,19,20,21)