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

Systemtic Name: N-(phenylmethyl)-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: 2-[(4-allyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-benzyl-propanamide CAS Name: N-(phenylmethyl)-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: N-benzyl-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: 2-[(4-allyl-5-phenyl-1,2,4-triazol-3-yl)thio]-N-benzyl-propionamide Formula: C21H22N4OS MolecularWeight: 378.49058

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CC=C1)SC2=NN=C(N2CC=C)C3=CC=CC=C3

Isomeric SMILES

CC(C(=O)NCC1=CC=CC=C1)SC2=NN=C(N2CC=C)C3=CC=CC=C3

InChI

InChI=1S/C21H22N4OS/c1-3-14-25-19(18-12-8-5-9-13-18)23-24-21(25)27-16(2)20(26)22-15-17-10-6-4-7-11-17/h3-13,16H,1,14-15H2,2H3,(H,22,26)