1-ethyl-N-[5-(phenylmethyl)-1,3,4-thiadiazol-2-yl]benzotriazole-5-carboxamide

Systemtic Name: 1-ethyl-N-[5-(phenylmethyl)-1,3,4-thiadiazol-2-yl]benzotriazole-5-carboxamide Openeye Name: N-(5-benzyl-1,3,4-thiadiazol-2-yl)-1-ethyl-benzotriazole-5-carboxamide CAS Name: 1-ethyl-N-[5-(phenylmethyl)-1,3,4-thiadiazol-2-yl]-5-benzotriazolecarboxamide IUPAC Name: N-(5-benzyl-1,3,4-thiadiazol-2-yl)-1-ethylbenzotriazole-5-carboxamide Traditional Name: N-(5-benzyl-1,3,4-thiadiazol-2-yl)-1-ethyl-benzotriazole-5-carboxamide Formula: C18H16N6OS MolecularWeight: 364.42424

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)NC3=NN=C(S3)CC4=CC=CC=C4)N=N1

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)NC3=NN=C(S3)CC4=CC=CC=C4)N=N1

InChI

InChI=1S/C18H16N6OS/c1-2-24-15-9-8-13(11-14(15)20-23-24)17(25)19-18-22-21-16(26-18)10-12-6-4-3-5-7-12/h3-9,11H,2,10H2,1H3,(H,19,22,25)