N-[5-(benzotriazol-1-ylmethyl)-1,3,4-thiadiazol-2-yl]-N-(cyanomethyl)benzamide

Systemtic Name: N-[5-(benzotriazol-1-ylmethyl)-1,3,4-thiadiazol-2-yl]-N-(cyanomethyl)benzamide Openeye Name: N-[5-(benzotriazol-1-ylmethyl)-1,3,4-thiadiazol-2-yl]-N-(cyanomethyl)benzamide CAS Name: N-[5-(1-benzotriazolylmethyl)-1,3,4-thiadiazol-2-yl]-N-(cyanomethyl)benzamide IUPAC Name: N-[5-(benzotriazol-1-ylmethyl)-1,3,4-thiadiazol-2-yl]-N-(cyanomethyl)benzamide Traditional Name: N-[5-(benzotriazol-1-ylmethyl)-1,3,4-thiadiazol-2-yl]-N-(cyanomethyl)benzamide Formula: C18H13N7OS MolecularWeight: 375.40712

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)N(CC#N)C2=NN=C(S2)CN3C4=CC=CC=C4N=N3

Isomeric SMILES

C1=CC=C(C=C1)C(=O)N(CC#N)C2=NN=C(S2)CN3C4=CC=CC=C4N=N3

InChI

InChI=1S/C18H13N7OS/c19-10-11-24(17(26)13-6-2-1-3-7-13)18-22-21-16(27-18)12-25-15-9-5-4-8-14(15)20-23-25/h1-9H,11-12H2