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

Systemtic Name: N-[5-[(4-cyanophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-1,3-benzothiazole-6-carboxamide Openeye Name: N-[5-[(4-cyanophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-1,3-benzothiazole-6-carboxamide CAS Name: N-[5-[(4-cyanophenyl)methylthio]-1,3,4-thiadiazol-2-yl]-1,3-benzothiazole-6-carboxamide IUPAC Name: N-[5-[(4-cyanophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-1,3-benzothiazole-6-carboxamide Traditional Name: N-[5-[(4-cyanobenzyl)thio]-1,3,4-thiadiazol-2-yl]-1,3-benzothiazole-6-carboxamide Formula: C18H11N5OS3 MolecularWeight: 409.50784

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSC2=NN=C(S2)NC(=O)C3=CC4=C(C=C3)N=CS4)C#N

Isomeric SMILES

C1=CC(=CC=C1CSC2=NN=C(S2)NC(=O)C3=CC4=C(C=C3)N=CS4)C#N

InChI

InChI=1S/C18H11N5OS3/c19-8-11-1-3-12(4-2-11)9-25-18-23-22-17(27-18)21-16(24)13-5-6-14-15(7-13)26-10-20-14/h1-7,10H,9H2,(H,21,22,24)