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

Systemtic Name: N-butan-2-yl-2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazole-4-carboxamide Openeye Name: 2-[[4-phenyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-N-sec-butyl-thiazole-4-carboxamide CAS Name: N-butan-2-yl-2-[[[4-phenyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]methyl]-4-thiazolecarboxamide IUPAC Name: N-butan-2-yl-2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazole-4-carboxamide Traditional Name: 2-[[[4-phenyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]-N-sec-butyl-thiazole-4-carboxamide Formula: C22H22N6OS2 MolecularWeight: 450.57968

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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=CN=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C22H22N6OS2/c1-3-15(2)24-21(29)18-13-30-19(25-18)14-31-22-27-26-20(16-8-7-11-23-12-16)28(22)17-9-5-4-6-10-17/h4-13,15H,3,14H2,1-2H3,(H,24,29)