2-[(4-cyclohexyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]ethanamide

Systemtic Name: 2-[(4-cyclohexyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]ethanamide Openeye Name: 2-[[4-cyclohexyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide CAS Name: 2-[[4-cyclohexyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide IUPAC Name: 2-[(4-cyclohexyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide Traditional Name: 2-[[4-cyclohexyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide Formula: C29H28N6OS2 MolecularWeight: 540.70222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)CSC4=NN=C(N4C5CCCCC5)C6=CN=CC=C6

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)CSC4=NN=C(N4C5CCCCC5)C6=CN=CC=C6

InChI

InChI=1S/C29H28N6OS2/c1-19-9-14-24-25(16-19)38-28(32-24)20-10-12-22(13-11-20)31-26(36)18-37-29-34-33-27(21-6-5-15-30-17-21)35(29)23-7-3-2-4-8-23/h5-6,9-17,23H,2-4,7-8,18H2,1H3,(H,31,36)