2-[[4-cyclohexyl-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)ethanamide

Systemtic Name: 2-[[4-cyclohexyl-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)ethanamide Openeye Name: 2-[[4-cyclohexyl-5-(1-naphthylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide CAS Name: 2-[[4-cyclohexyl-5-(1-naphthalenylmethyl)-1,2,4-triazol-3-yl]thio]-N-[4-(1-pyrrolidinylsulfonyl)phenyl]acetamide IUPAC Name: 2-[[4-cyclohexyl-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide Traditional Name: 2-[[4-cyclohexyl-5-(1-naphthylmethyl)-1,2,4-triazol-3-yl]thio]-N-(4-pyrrolidinosulfonylphenyl)acetamide Formula: C31H35N5O3S2 MolecularWeight: 589.7713

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=NN=C2SCC(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCC4)CC5=CC=CC6=CC=CC=C65

Isomeric SMILES

C1CCC(CC1)N2C(=NN=C2SCC(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCC4)CC5=CC=CC6=CC=CC=C65

InChI

InChI=1S/C31H35N5O3S2/c37-30(32-25-15-17-27(18-16-25)41(38,39)35-19-6-7-20-35)22-40-31-34-33-29(36(31)26-12-2-1-3-13-26)21-24-11-8-10-23-9-4-5-14-28(23)24/h4-5,8-11,14-18,26H,1-3,6-7,12-13,19-22H2,(H,32,37)