N-(2-propan-2-yl-1,3-benzoxazol-5-yl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide

Systemtic Name: N-(2-propan-2-yl-1,3-benzoxazol-5-yl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide Openeye Name: N-(2-isopropyl-1,3-benzoxazol-5-yl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide CAS Name: N-(2-propan-2-yl-1,3-benzoxazol-5-yl)-4-[(1H-1,2,4-triazol-5-ylthio)methyl]benzamide IUPAC Name: N-(2-propan-2-yl-1,3-benzoxazol-5-yl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide Traditional Name: N-(2-isopropyl-1,3-benzoxazol-5-yl)-4-[(1H-1,2,4-triazol-5-ylthio)methyl]benzamide Formula: C20H19N5O2S MolecularWeight: 393.46216

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC2=C(O1)C=CC(=C2)NC(=O)C3=CC=C(C=C3)CSC4=NC=NN4

Isomeric SMILES

CC(C)C1=NC2=C(O1)C=CC(=C2)NC(=O)C3=CC=C(C=C3)CSC4=NC=NN4

InChI

InChI=1S/C20H19N5O2S/c1-12(2)19-24-16-9-15(7-8-17(16)27-19)23-18(26)14-5-3-13(4-6-14)10-28-20-21-11-22-25-20/h3-9,11-12H,10H2,1-2H3,(H,23,26)(H,21,22,25)