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

Systemtic Name: [3-nitro-4-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]phenyl]-phenyl-methanone Openeye Name: [4-[[5-(isopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-nitro-phenyl]-phenyl-methanone CAS Name: [3-nitro-4-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]thio]phenyl]-phenylmethanone IUPAC Name: [3-nitro-4-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]phenyl]-phenylmethanone Traditional Name: [4-[[5-(isopropylamino)-1,3,4-thiadiazol-2-yl]thio]-3-nitro-phenyl]-phenyl-methanone Formula: C18H16N4O3S2 MolecularWeight: 400.47464

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1=NN=C(S1)SC2=C(C=C(C=C2)C(=O)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)NC1=NN=C(S1)SC2=C(C=C(C=C2)C(=O)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H16N4O3S2/c1-11(2)19-17-20-21-18(27-17)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)