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

Systemtic Name: N-cyclohexyl-2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-5-nitro-benzamide Openeye Name: N-cyclohexyl-2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-5-nitro-benzamide CAS Name: N-cyclohexyl-2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)thio]-5-nitrobenzamide IUPAC Name: N-cyclohexyl-2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-5-nitrobenzamide Traditional Name: N-cyclohexyl-2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)thio]-5-nitro-benzamide Formula: C22H23N5O3S MolecularWeight: 437.51472

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2=CC=CC=C2)SC3=C(C=C(C=C3)[N+](=O)[O-])C(=O)NC4CCCCC4

Isomeric SMILES

CC1=NN=C(N1C2=CC=CC=C2)SC3=C(C=C(C=C3)[N+](=O)[O-])C(=O)NC4CCCCC4

InChI

InChI=1S/C22H23N5O3S/c1-15-24-25-22(26(15)17-10-6-3-7-11-17)31-20-13-12-18(27(29)30)14-19(20)21(28)23-16-8-4-2-5-9-16/h3,6-7,10-14,16H,2,4-5,8-9H2,1H3,(H,23,28)