2-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-piperidin-1-ylsulfonylphenyl)propanamide

Systemtic Name: 2-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-piperidin-1-ylsulfonylphenyl)propanamide Openeye Name: 2-[(4-allyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(1-piperidylsulfonyl)phenyl]propanamide CAS Name: 2-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]-N-[4-(1-piperidinylsulfonyl)phenyl]propanamide IUPAC Name: 2-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-piperidin-1-ylsulfonylphenyl)propanamide Traditional Name: 2-[(4-allyl-5-methyl-1,2,4-triazol-3-yl)thio]-N-(4-piperidinosulfonylphenyl)propionamide Formula: C20H27N5O3S2 MolecularWeight: 449.59008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1CC=C)SC(C)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1=NN=C(N1CC=C)SC(C)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C20H27N5O3S2/c1-4-12-25-16(3)22-23-20(25)29-15(2)19(26)21-17-8-10-18(11-9-17)30(27,28)24-13-6-5-7-14-24/h4,8-11,15H,1,5-7,12-14H2,2-3H3,(H,21,26)