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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC(=NN1)SC2=C(C=C(C=C2)C(=O)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=NC(=NN1)SC2=C(C=C(C=C2)C(=O)C3=CC=CC=C3)[N+](=O)[O-]

InChI

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