N-[5-(phenylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]-1,3-benzothiazole-6-carboxamide

Systemtic Name: N-[5-(phenylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]-1,3-benzothiazole-6-carboxamide Openeye Name: N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-1,3-benzothiazole-6-carboxamide CAS Name: N-[5-(phenylmethylthio)-1,3,4-thiadiazol-2-yl]-1,3-benzothiazole-6-carboxamide IUPAC Name: N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-1,3-benzothiazole-6-carboxamide Traditional Name: N-[5-(benzylthio)-1,3,4-thiadiazol-2-yl]-1,3-benzothiazole-6-carboxamide Formula: C17H12N4OS3 MolecularWeight: 384.49838

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NN=C(S2)NC(=O)C3=CC4=C(C=C3)N=CS4

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NN=C(S2)NC(=O)C3=CC4=C(C=C3)N=CS4

InChI

InChI=1S/C17H12N4OS3/c22-15(12-6-7-13-14(8-12)24-10-18-13)19-16-20-21-17(25-16)23-9-11-4-2-1-3-5-11/h1-8,10H,9H2,(H,19,20,22)