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

Systemtic Name: 5-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-(2,3-dimethylphenyl)-1,3,4-thiadiazol-2-amine Openeye Name: 5-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-(2,3-dimethylphenyl)-1,3,4-thiadiazol-2-amine CAS Name: 5-(1,3-benzothiazol-2-ylmethylthio)-N-(2,3-dimethylphenyl)-1,3,4-thiadiazol-2-amine IUPAC Name: 5-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-(2,3-dimethylphenyl)-1,3,4-thiadiazol-2-amine Traditional Name: [5-(1,3-benzothiazol-2-ylmethylthio)-1,3,4-thiadiazol-2-yl]-(2,3-dimethylphenyl)amine Formula: C18H16N4S3 MolecularWeight: 384.54144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC2=NN=C(S2)SCC3=NC4=CC=CC=C4S3)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC2=NN=C(S2)SCC3=NC4=CC=CC=C4S3)C

InChI

InChI=1S/C18H16N4S3/c1-11-6-5-8-13(12(11)2)20-17-21-22-18(25-17)23-10-16-19-14-7-3-4-9-15(14)24-16/h3-9H,10H2,1-2H3,(H,20,21)