3-(1,3-benzothiazol-2-ylmethylsulfanyl)-5-[(4-methoxyphenyl)methyl]-1,2,4-triazol-4-amine

Systemtic Name: 3-(1,3-benzothiazol-2-ylmethylsulfanyl)-5-[(4-methoxyphenyl)methyl]-1,2,4-triazol-4-amine Openeye Name: 3-(1,3-benzothiazol-2-ylmethylsulfanyl)-5-[(4-methoxyphenyl)methyl]-1,2,4-triazol-4-amine CAS Name: 3-(1,3-benzothiazol-2-ylmethylthio)-5-[(4-methoxyphenyl)methyl]-1,2,4-triazol-4-amine IUPAC Name: 3-(1,3-benzothiazol-2-ylmethylsulfanyl)-5-[(4-methoxyphenyl)methyl]-1,2,4-triazol-4-amine Traditional Name: [3-(1,3-benzothiazol-2-ylmethylthio)-5-p-anisyl-1,2,4-triazol-4-yl]amine Formula: C18H17N5OS2 MolecularWeight: 383.49048

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC2=NN=C(N2N)SCC3=NC4=CC=CC=C4S3

Isomeric SMILES

COC1=CC=C(C=C1)CC2=NN=C(N2N)SCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C18H17N5OS2/c1-24-13-8-6-12(7-9-13)10-16-21-22-18(23(16)19)25-11-17-20-14-4-2-3-5-15(14)26-17/h2-9H,10-11,19H2,1H3