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

Systemtic Name: N-[2-(diethylamino)-2-phenyl-ethyl]-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzamide Openeye Name: N-[2-(diethylamino)-2-phenyl-ethyl]-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzamide CAS Name: N-[2-(diethylamino)-2-phenylethyl]-4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitrobenzamide IUPAC Name: N-[2-(diethylamino)-2-phenylethyl]-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrobenzamide Traditional Name: N-[2-(diethylamino)-2-phenyl-ethyl]-4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitro-benzamide Formula: C22H26N6O3S MolecularWeight: 454.54524

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(CNC(=O)C1=CC(=C(C=C1)SC2=NN=CN2C)[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

CCN(CC)C(CNC(=O)C1=CC(=C(C=C1)SC2=NN=CN2C)[N+](=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C22H26N6O3S/c1-4-27(5-2)19(16-9-7-6-8-10-16)14-23-21(29)17-11-12-20(18(13-17)28(30)31)32-22-25-24-15-26(22)3/h6-13,15,19H,4-5,14H2,1-3H3,(H,23,29)