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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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