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

Systemtic Name: N-(phenylcarbamoyl)-2-[[5-(phenylmethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[(4-allyl-5-benzyl-1,2,4-triazol-3-yl)sulfanyl]-N-(phenylcarbamoyl)acetamide CAS Name: N-[anilino(oxo)methyl]-2-[[5-(phenylmethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: 2-[(5-benzyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N-(phenylcarbamoyl)acetamide Traditional Name: 2-[(4-allyl-5-benzyl-1,2,4-triazol-3-yl)thio]-N-(phenylcarbamoyl)acetamide Formula: C21H21N5O2S MolecularWeight: 407.48874

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC(=O)NC(=O)NC2=CC=CC=C2)CC3=CC=CC=C3

Isomeric SMILES

C=CCN1C(=NN=C1SCC(=O)NC(=O)NC2=CC=CC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C21H21N5O2S/c1-2-13-26-18(14-16-9-5-3-6-10-16)24-25-21(26)29-15-19(27)23-20(28)22-17-11-7-4-8-12-17/h2-12H,1,13-15H2,(H2,22,23,27,28)