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

Systemtic Name: N-[5-(benzotriazol-1-ylmethyl)-1,3,4-thiadiazol-2-yl]-N-[2,4-bis(oxidanylidene)pentan-3-yl]benzamide Openeye Name: N-(1-acetyl-2-oxo-propyl)-N-[5-(benzotriazol-1-ylmethyl)-1,3,4-thiadiazol-2-yl]benzamide CAS Name: N-[5-(1-benzotriazolylmethyl)-1,3,4-thiadiazol-2-yl]-N-(2,4-dioxopentan-3-yl)benzamide IUPAC Name: N-[5-(benzotriazol-1-ylmethyl)-1,3,4-thiadiazol-2-yl]-N-(2,4-dioxopentan-3-yl)benzamide Traditional Name: N-(1-acetyl-2-keto-propyl)-N-[5-(benzotriazol-1-ylmethyl)-1,3,4-thiadiazol-2-yl]benzamide Formula: C21H18N6O3S MolecularWeight: 434.47102

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(C(=O)C)N(C1=NN=C(S1)CN2C3=CC=CC=C3N=N2)C(=O)C4=CC=CC=C4

Isomeric SMILES

CC(=O)C(C(=O)C)N(C1=NN=C(S1)CN2C3=CC=CC=C3N=N2)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H18N6O3S/c1-13(28)19(14(2)29)27(20(30)15-8-4-3-5-9-15)21-24-23-18(31-21)12-26-17-11-7-6-10-16(17)22-25-26/h3-11,19H,12H2,1-2H3