N-[5-(1,3-benzothiazol-2-ylsulfanylmethyl)-1H-1,2,4-triazol-3-yl]-4-methoxy-benzamide

Systemtic Name: N-[5-(1,3-benzothiazol-2-ylsulfanylmethyl)-1H-1,2,4-triazol-3-yl]-4-methoxy-benzamide Openeye Name: N-[5-(1,3-benzothiazol-2-ylsulfanylmethyl)-1H-1,2,4-triazol-3-yl]-4-methoxy-benzamide CAS Name: N-[5-[(1,3-benzothiazol-2-ylthio)methyl]-1H-1,2,4-triazol-3-yl]-4-methoxybenzamide IUPAC Name: N-[5-(1,3-benzothiazol-2-ylsulfanylmethyl)-1H-1,2,4-triazol-3-yl]-4-methoxybenzamide Traditional Name: N-[5-[(1,3-benzothiazol-2-ylthio)methyl]-1H-1,2,4-triazol-3-yl]-4-methoxy-benzamide Formula: C18H15N5O2S2 MolecularWeight: 397.474

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)NC2=NNC(=N2)CSC3=NC4=CC=CC=C4S3

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)NC2=NNC(=N2)CSC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C18H15N5O2S2/c1-25-12-8-6-11(7-9-12)16(24)21-17-20-15(22-23-17)10-26-18-19-13-4-2-3-5-14(13)27-18/h2-9H,10H2,1H3,(H2,20,21,22,23,24)