N-[2-(dimethylamino)-2-thiophen-3-yl-ethyl]-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzamide

Systemtic Name: N-[2-(dimethylamino)-2-thiophen-3-yl-ethyl]-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzamide Openeye Name: N-[2-(dimethylamino)-2-(3-thienyl)ethyl]-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzamide CAS Name: N-[2-(dimethylamino)-2-(3-thiophenyl)ethyl]-4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitrobenzamide IUPAC Name: N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrobenzamide Traditional Name: N-[2-(dimethylamino)-2-(3-thienyl)ethyl]-4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitro-benzamide Formula: C18H20N6O3S2 MolecularWeight: 432.5198

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1SC2=C(C=C(C=C2)C(=O)NCC(C3=CSC=C3)N(C)C)[N+](=O)[O-]

Isomeric SMILES

CN1C=NN=C1SC2=C(C=C(C=C2)C(=O)NCC(C3=CSC=C3)N(C)C)[N+](=O)[O-]

InChI

InChI=1S/C18H20N6O3S2/c1-22(2)15(13-6-7-28-10-13)9-19-17(25)12-4-5-16(14(8-12)24(26)27)29-18-21-20-11-23(18)3/h4-8,10-11,15H,9H2,1-3H3,(H,19,25)