1-[3-nitro-4-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]phenyl]ethanone

Systemtic Name: 1-[3-nitro-4-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]phenyl]ethanone Openeye Name: 1-[4-[[5-(isopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-nitro-phenyl]ethanone CAS Name: 1-[3-nitro-4-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]thio]phenyl]ethanone IUPAC Name: 1-[3-nitro-4-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]phenyl]ethanone Traditional Name: 1-[4-[[5-(isopropylamino)-1,3,4-thiadiazol-2-yl]thio]-3-nitro-phenyl]ethanone Formula: C13H14N4O3S2 MolecularWeight: 338.40526

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1=NN=C(S1)SC2=C(C=C(C=C2)C(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC(C)NC1=NN=C(S1)SC2=C(C=C(C=C2)C(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C13H14N4O3S2/c1-7(2)14-12-15-16-13(22-12)21-11-5-4-9(8(3)18)6-10(11)17(19)20/h4-7H,1-3H3,(H,14,15)