2-[[5-(furan-2-yl)-4-pyrrol-1-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-nitrophenyl)ethanamide

Systemtic Name: 2-[[5-(furan-2-yl)-4-pyrrol-1-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-nitrophenyl)ethanamide Openeye Name: 2-[[5-(2-furyl)-4-pyrrol-1-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-nitrophenyl)acetamide CAS Name: 2-[[5-(2-furanyl)-4-(1-pyrrolyl)-1,2,4-triazol-3-yl]thio]-N-(4-nitrophenyl)acetamide IUPAC Name: 2-[[5-(furan-2-yl)-4-pyrrol-1-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-nitrophenyl)acetamide Traditional Name: 2-[[5-(2-furyl)-4-pyrrol-1-yl-1,2,4-triazol-3-yl]thio]-N-(4-nitrophenyl)acetamide Formula: C18H14N6O4S MolecularWeight: 410.40656

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C=C1)N2C(=NN=C2SCC(=O)NC3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CO4

Isomeric SMILES

C1=CN(C=C1)N2C(=NN=C2SCC(=O)NC3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CO4

InChI

InChI=1S/C18H14N6O4S/c25-16(19-13-5-7-14(8-6-13)24(26)27)12-29-18-21-20-17(15-4-3-11-28-15)23(18)22-9-1-2-10-22/h1-11H,12H2,(H,19,25)