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

Systemtic Name: 5-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-(4-phenoxyphenyl)-1,3,4-thiadiazol-2-amine Openeye Name: 5-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-(4-phenoxyphenyl)-1,3,4-thiadiazol-2-amine CAS Name: 5-(1,3-benzothiazol-2-ylmethylthio)-N-(4-phenoxyphenyl)-1,3,4-thiadiazol-2-amine IUPAC Name: 5-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-(4-phenoxyphenyl)-1,3,4-thiadiazol-2-amine Traditional Name: [5-(1,3-benzothiazol-2-ylmethylthio)-1,3,4-thiadiazol-2-yl]-(4-phenoxyphenyl)amine Formula: C22H16N4OS3 MolecularWeight: 448.58364

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=C(C=C2)NC3=NN=C(S3)SCC4=NC5=CC=CC=C5S4

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=C(C=C2)NC3=NN=C(S3)SCC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C22H16N4OS3/c1-2-6-16(7-3-1)27-17-12-10-15(11-13-17)23-21-25-26-22(30-21)28-14-20-24-18-8-4-5-9-19(18)29-20/h1-13H,14H2,(H,23,25)