N-[3-(3-azanylpropyl)-4-(azidomethyl)-1,3-thiazol-2-ylidene]-2,4-dimethyl-benzamide

Systemtic Name: N-[3-(3-azanylpropyl)-4-(azidomethyl)-1,3-thiazol-2-ylidene]-2,4-dimethyl-benzamide Openeye Name: N-[3-(3-aminopropyl)-4-(azidomethyl)thiazol-2-ylidene]-2,4-dimethyl-benzamide CAS Name: N-[3-(3-aminopropyl)-4-(azidomethyl)-2-thiazolylidene]-2,4-dimethylbenzamide IUPAC Name: N-[3-(3-aminopropyl)-4-(azidomethyl)-1,3-thiazol-2-ylidene]-2,4-dimethylbenzamide Traditional Name: N-[3-(3-aminopropyl)-4-(azidomethyl)-4-thiazolin-2-ylidene]-2,4-dimethyl-benzamide Formula: C16H20N6OS MolecularWeight: 344.4346

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)N=C2N(C(=CS2)CN=[N+]=[N-])CCCN)C

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)N=C2N(C(=CS2)CN=[N+]=[N-])CCCN)C

InChI

InChI=1S/C16H20N6OS/c1-11-4-5-14(12(2)8-11)15(23)20-16-22(7-3-6-17)13(10-24-16)9-19-21-18/h4-5,8,10H,3,6-7,9,17H2,1-2H3