2-(benzotriazol-1-yl)-N-[5-[(4-cyanophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]ethanamide

Systemtic Name: 2-(benzotriazol-1-yl)-N-[5-[(4-cyanophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]ethanamide Openeye Name: 2-(benzotriazol-1-yl)-N-[5-[(4-cyanophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]acetamide CAS Name: 2-(1-benzotriazolyl)-N-[5-[(4-cyanophenyl)methylthio]-1,3,4-thiadiazol-2-yl]acetamide IUPAC Name: 2-(benzotriazol-1-yl)-N-[5-[(4-cyanophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]acetamide Traditional Name: 2-(benzotriazol-1-yl)-N-[5-[(4-cyanobenzyl)thio]-1,3,4-thiadiazol-2-yl]acetamide Formula: C18H13N7OS2 MolecularWeight: 407.47212

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=NN2CC(=O)NC3=NN=C(S3)SCC4=CC=C(C=C4)C#N

Isomeric SMILES

C1=CC=C2C(=C1)N=NN2CC(=O)NC3=NN=C(S3)SCC4=CC=C(C=C4)C#N

InChI

InChI=1S/C18H13N7OS2/c19-9-12-5-7-13(8-6-12)11-27-18-23-22-17(28-18)20-16(26)10-25-15-4-2-1-3-14(15)21-24-25/h1-8H,10-11H2,(H,20,22,26)