N-[4-(3-bromanyl-4-methoxy-phenyl)-1,3-thiazol-2-yl]-4-(1,2,4-triazol-1-ylmethyl)benzamide

Systemtic Name: N-[4-(3-bromanyl-4-methoxy-phenyl)-1,3-thiazol-2-yl]-4-(1,2,4-triazol-1-ylmethyl)benzamide Openeye Name: N-[4-(3-bromo-4-methoxy-phenyl)thiazol-2-yl]-4-(1,2,4-triazol-1-ylmethyl)benzamide CAS Name: N-[4-(3-bromo-4-methoxyphenyl)-2-thiazolyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide IUPAC Name: N-[4-(3-bromo-4-methoxyphenyl)-1,3-thiazol-2-yl]-4-(1,2,4-triazol-1-ylmethyl)benzamide Traditional Name: N-[4-(3-bromo-4-methoxy-phenyl)thiazol-2-yl]-4-(1,2,4-triazol-1-ylmethyl)benzamide Formula: C20H16BrN5O2S MolecularWeight: 470.34234

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CSC(=N2)NC(=O)C3=CC=C(C=C3)CN4C=NC=N4)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CSC(=N2)NC(=O)C3=CC=C(C=C3)CN4C=NC=N4)Br

InChI

InChI=1S/C20H16BrN5O2S/c1-28-18-7-6-15(8-16(18)21)17-10-29-20(24-17)25-19(27)14-4-2-13(3-5-14)9-26-12-22-11-23-26/h2-8,10-12H,9H2,1H3,(H,24,25,27)