5-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-(4-methoxyphenyl)-1,3,4-thiadiazol-2-amine

Systemtic Name: 5-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-(4-methoxyphenyl)-1,3,4-thiadiazol-2-amine Openeye Name: 5-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-(4-methoxyphenyl)-1,3,4-thiadiazol-2-amine CAS Name: 5-(1,3-benzothiazol-2-ylmethylthio)-N-(4-methoxyphenyl)-1,3,4-thiadiazol-2-amine IUPAC Name: 5-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-(4-methoxyphenyl)-1,3,4-thiadiazol-2-amine Traditional Name: [5-(1,3-benzothiazol-2-ylmethylthio)-1,3,4-thiadiazol-2-yl]-(4-methoxyphenyl)amine Formula: C17H14N4OS3 MolecularWeight: 386.51426

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC2=NN=C(S2)SCC3=NC4=CC=CC=C4S3

Isomeric SMILES

COC1=CC=C(C=C1)NC2=NN=C(S2)SCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C17H14N4OS3/c1-22-12-8-6-11(7-9-12)18-16-20-21-17(25-16)23-10-15-19-13-4-2-3-5-14(13)24-15/h2-9H,10H2,1H3,(H,18,20)