N-[2-[[(E)-1-(benzotriazol-1-yl)propan-2-ylideneamino]carbamoyl]phenyl]thiophene-2-carboxamide

Systemtic Name: N-[2-[[(E)-1-(benzotriazol-1-yl)propan-2-ylideneamino]carbamoyl]phenyl]thiophene-2-carboxamide Openeye Name: N-[2-[[(E)-[2-(benzotriazol-1-yl)-1-methyl-ethylidene]amino]carbamoyl]phenyl]thiophene-2-carboxamide CAS Name: N-[2-[[(2E)-2-[1-(1-benzotriazolyl)propan-2-ylidene]hydrazinyl]-oxomethyl]phenyl]-2-thiophenecarboxamide IUPAC Name: N-[2-[[(E)-1-(benzotriazol-1-yl)propan-2-ylideneamino]carbamoyl]phenyl]thiophene-2-carboxamide Traditional Name: N-[2-[[(E)-[2-(benzotriazol-1-yl)-1-methyl-ethylidene]amino]carbamoyl]phenyl]thiophene-2-carboxamide Formula: C21H18N6O2S MolecularWeight: 418.47162

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)C1=CC=CC=C1NC(=O)C2=CC=CS2)CN3C4=CC=CC=C4N=N3

Isomeric SMILES

C/C(=N\NC(=O)C1=CC=CC=C1NC(=O)C2=CC=CS2)/CN3C4=CC=CC=C4N=N3

InChI

InChI=1S/C21H18N6O2S/c1-14(13-27-18-10-5-4-9-17(18)24-26-27)23-25-20(28)15-7-2-3-8-16(15)22-21(29)19-11-6-12-30-19/h2-12H,13H2,1H3,(H,22,29)(H,25,28)/b23-14+