N-(3-imidazol-1-ylpropyl)-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitro-benzamide

Systemtic Name: N-(3-imidazol-1-ylpropyl)-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitro-benzamide Openeye Name: N-(3-imidazol-1-ylpropyl)-4-(4-methylthiazol-2-yl)sulfanyl-3-nitro-benzamide CAS Name: N-[3-(1-imidazolyl)propyl]-4-[(4-methyl-2-thiazolyl)thio]-3-nitrobenzamide IUPAC Name: N-(3-imidazol-1-ylpropyl)-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitrobenzamide Traditional Name: N-(3-imidazol-1-ylpropyl)-4-[(4-methylthiazol-2-yl)thio]-3-nitro-benzamide Formula: C17H17N5O3S2 MolecularWeight: 403.47858

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)SC2=C(C=C(C=C2)C(=O)NCCCN3C=CN=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CSC(=N1)SC2=C(C=C(C=C2)C(=O)NCCCN3C=CN=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H17N5O3S2/c1-12-10-26-17(20-12)27-15-4-3-13(9-14(15)22(24)25)16(23)19-5-2-7-21-8-6-18-11-21/h3-4,6,8-11H,2,5,7H2,1H3,(H,19,23)