N-[4-[2-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]propanoyl]phenyl]methanesulfonamide

Systemtic Name: N-[4-[2-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]propanoyl]phenyl]methanesulfonamide Openeye Name: N-[4-[2-[(4-allyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]propanoyl]phenyl]methanesulfonamide CAS Name: N-[4-[2-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]-1-oxopropyl]phenyl]methanesulfonamide IUPAC Name: N-[4-[2-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]propanoyl]phenyl]methanesulfonamide Traditional Name: N-[4-[2-[(4-allyl-5-methyl-1,2,4-triazol-3-yl)thio]propanoyl]phenyl]methanesulfonamide Formula: C16H20N4O3S2 MolecularWeight: 380.485

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1CC=C)SC(C)C(=O)C2=CC=C(C=C2)NS(=O)(=O)C

Isomeric SMILES

CC1=NN=C(N1CC=C)SC(C)C(=O)C2=CC=C(C=C2)NS(=O)(=O)C

InChI

InChI=1S/C16H20N4O3S2/c1-5-10-20-12(3)17-18-16(20)24-11(2)15(21)13-6-8-14(9-7-13)19-25(4,22)23/h5-9,11,19H,1,10H2,2-4H3