N-[(5-methylthiophen-2-yl)methyl]-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-N-phenethyl-benzamide

Systemtic Name: N-[(5-methylthiophen-2-yl)methyl]-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-N-phenethyl-benzamide Openeye Name: N-[(5-methyl-2-thienyl)methyl]-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-N-phenethyl-benzamide CAS Name: N-[(5-methyl-2-thiophenyl)methyl]-4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitro-N-phenethylbenzamide IUPAC Name: N-[(5-methylthiophen-2-yl)methyl]-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-N-phenethylbenzamide Traditional Name: N-[(5-methyl-2-thienyl)methyl]-4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitro-N-phenethyl-benzamide Formula: C24H23N5O3S2 MolecularWeight: 493.60112

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)CN(CCC2=CC=CC=C2)C(=O)C3=CC(=C(C=C3)SC4=NN=CN4C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(S1)CN(CCC2=CC=CC=C2)C(=O)C3=CC(=C(C=C3)SC4=NN=CN4C)[N+](=O)[O-]

InChI

InChI=1S/C24H23N5O3S2/c1-17-8-10-20(33-17)15-28(13-12-18-6-4-3-5-7-18)23(30)19-9-11-22(21(14-19)29(31)32)34-24-26-25-16-27(24)2/h3-11,14,16H,12-13,15H2,1-2H3