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

Systemtic Name: 2-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N-(phenylmethyl)propanamide Openeye Name: 2-[(4-allyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-benzyl-propanamide CAS Name: 2-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]-N-(phenylmethyl)propanamide IUPAC Name: N-benzyl-2-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: 2-[(4-allyl-5-methyl-1,2,4-triazol-3-yl)thio]-N-benzyl-propionamide Formula: C16H20N4OS MolecularWeight: 316.4212

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1CC=C)SC(C)C(=O)NCC2=CC=CC=C2

Isomeric SMILES

CC1=NN=C(N1CC=C)SC(C)C(=O)NCC2=CC=CC=C2

InChI

InChI=1S/C16H20N4OS/c1-4-10-20-13(3)18-19-16(20)22-12(2)15(21)17-11-14-8-6-5-7-9-14/h4-9,12H,1,10-11H2,2-3H3,(H,17,21)