5-[2-(1,3-benzoxazol-2-ylsulfanyl)ethanoylamino]-1-(phenylmethyl)-1,2,3-triazole-4-carboxamide

Systemtic Name: 5-[2-(1,3-benzoxazol-2-ylsulfanyl)ethanoylamino]-1-(phenylmethyl)-1,2,3-triazole-4-carboxamide Openeye Name: 5-[[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]amino]-1-benzyl-triazole-4-carboxamide CAS Name: 5-[[2-(1,3-benzoxazol-2-ylthio)-1-oxoethyl]amino]-1-(phenylmethyl)-4-triazolecarboxamide IUPAC Name: 5-[[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]amino]-1-benzyltriazole-4-carboxamide Traditional Name: 5-[[2-(1,3-benzoxazol-2-ylthio)acetyl]amino]-1-benzyl-triazole-4-carboxamide Formula: C19H16N6O3S MolecularWeight: 408.43374

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=C(N=N2)C(=O)N)NC(=O)CSC3=NC4=CC=CC=C4O3

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=C(N=N2)C(=O)N)NC(=O)CSC3=NC4=CC=CC=C4O3

InChI

InChI=1S/C19H16N6O3S/c20-17(27)16-18(25(24-23-16)10-12-6-2-1-3-7-12)22-15(26)11-29-19-21-13-8-4-5-9-14(13)28-19/h1-9H,10-11H2,(H2,20,27)(H,22,26)