N-(6-methyl-1,3-benzothiazol-2-yl)-2-[1-(4-nitrophenyl)imidazol-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(6-methyl-1,3-benzothiazol-2-yl)-2-[1-(4-nitrophenyl)imidazol-2-yl]sulfanyl-ethanamide Openeye Name: N-(6-methyl-1,3-benzothiazol-2-yl)-2-[1-(4-nitrophenyl)imidazol-2-yl]sulfanyl-acetamide CAS Name: N-(6-methyl-1,3-benzothiazol-2-yl)-2-[[1-(4-nitrophenyl)-2-imidazolyl]thio]acetamide IUPAC Name: N-(6-methyl-1,3-benzothiazol-2-yl)-2-[1-(4-nitrophenyl)imidazol-2-yl]sulfanylacetamide Traditional Name: N-(6-methyl-1,3-benzothiazol-2-yl)-2-[[1-(4-nitrophenyl)imidazol-2-yl]thio]acetamide Formula: C19H15N5O3S2 MolecularWeight: 425.4841

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)NC(=O)CSC3=NC=CN3C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)NC(=O)CSC3=NC=CN3C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H15N5O3S2/c1-12-2-7-15-16(10-12)29-18(21-15)22-17(25)11-28-19-20-8-9-23(19)13-3-5-14(6-4-13)24(26)27/h2-10H,11H2,1H3,(H,21,22,25)