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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1)SC2=NN=C(N2CC=C)CC3=CC=CC=C3

Isomeric SMILES

CC(C(=O)NC1=CC=CC=C1)SC2=NN=C(N2CC=C)CC3=CC=CC=C3

InChI

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