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

Systemtic Name: [4-[[5-(furan-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-nitro-phenyl]-phenyl-methanone Openeye Name: [4-[[5-(2-furylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-nitro-phenyl]-phenyl-methanone CAS Name: [4-[[5-(2-furanylmethylamino)-1,3,4-thiadiazol-2-yl]thio]-3-nitrophenyl]-phenylmethanone IUPAC Name: [4-[[5-(furan-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-nitrophenyl]-phenylmethanone Traditional Name: [4-[[5-(2-furfurylamino)-1,3,4-thiadiazol-2-yl]thio]-3-nitro-phenyl]-phenyl-methanone Formula: C20H14N4O4S2 MolecularWeight: 438.47956

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C2=CC(=C(C=C2)SC3=NN=C(S3)NCC4=CC=CO4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C2=CC(=C(C=C2)SC3=NN=C(S3)NCC4=CC=CO4)[N+](=O)[O-]

InChI

InChI=1S/C20H14N4O4S2/c25-18(13-5-2-1-3-6-13)14-8-9-17(16(11-14)24(26)27)29-20-23-22-19(30-20)21-12-15-7-4-10-28-15/h1-11H,12H2,(H,21,22)