N-butyl-2-[[5-(furan-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazole-4-carboxamide

Systemtic Name: N-butyl-2-[[5-(furan-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazole-4-carboxamide Openeye Name: N-butyl-2-[[5-(2-furyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]thiazole-4-carboxamide CAS Name: N-butyl-2-[[[5-(2-furanyl)-4-phenyl-1,2,4-triazol-3-yl]thio]methyl]-4-thiazolecarboxamide IUPAC Name: N-butyl-2-[[5-(furan-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazole-4-carboxamide Traditional Name: N-butyl-2-[[[5-(2-furyl)-4-phenyl-1,2,4-triazol-3-yl]thio]methyl]thiazole-4-carboxamide Formula: C21H21N5O2S2 MolecularWeight: 439.55374

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=CSC(=N1)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=CO4

Isomeric SMILES

CCCCNC(=O)C1=CSC(=N1)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=CO4

InChI

InChI=1S/C21H21N5O2S2/c1-2-3-11-22-20(27)16-13-29-18(23-16)14-30-21-25-24-19(17-10-7-12-28-17)26(21)15-8-5-4-6-9-15/h4-10,12-13H,2-3,11,14H2,1H3,(H,22,27)