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

Systemtic Name: 1-ethyl-N-[5-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-yl]benzotriazole-5-carboxamide Openeye Name: 1-ethyl-N-[5-(4-isopropylphenyl)-1,3,4-thiadiazol-2-yl]benzotriazole-5-carboxamide CAS Name: 1-ethyl-N-[5-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-yl]-5-benzotriazolecarboxamide IUPAC Name: 1-ethyl-N-[5-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-yl]benzotriazole-5-carboxamide Traditional Name: 1-ethyl-N-(5-p-cumenyl-1,3,4-thiadiazol-2-yl)benzotriazole-5-carboxamide Formula: C20H20N6OS MolecularWeight: 392.4774

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N6OS/c1-4-26-17-10-9-15(11-16(17)22-25-26)18(27)21-20-24-23-19(28-20)14-7-5-13(6-8-14)12(2)3/h5-12H,4H2,1-3H3,(H,21,24,27)