3-[[5-(furan-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-nitrophenyl)propanamide

Systemtic Name: 3-[[5-(furan-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-nitrophenyl)propanamide Openeye Name: 3-[[5-(2-furylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-nitrophenyl)propanamide CAS Name: 3-[[5-(2-furanylmethylamino)-1,3,4-thiadiazol-2-yl]thio]-N-(4-nitrophenyl)propanamide IUPAC Name: 3-[[5-(furan-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-nitrophenyl)propanamide Traditional Name: 3-[[5-(2-furfurylamino)-1,3,4-thiadiazol-2-yl]thio]-N-(4-nitrophenyl)propionamide Formula: C16H15N5O4S2 MolecularWeight: 405.4514

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)CNC2=NN=C(S2)SCCC(=O)NC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=COC(=C1)CNC2=NN=C(S2)SCCC(=O)NC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H15N5O4S2/c22-14(18-11-3-5-12(6-4-11)21(23)24)7-9-26-16-20-19-15(27-16)17-10-13-2-1-8-25-13/h1-6,8H,7,9-10H2,(H,17,19)(H,18,22)