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

Systemtic Name: 2-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-nitrophenyl)ethanamide Openeye Name: 2-[(4-allyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-nitrophenyl)acetamide CAS Name: 2-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]-N-(4-nitrophenyl)acetamide IUPAC Name: 2-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-nitrophenyl)acetamide Traditional Name: 2-[(4-allyl-5-methyl-1,2,4-triazol-3-yl)thio]-N-(4-nitrophenyl)acetamide Formula: C14H15N5O3S MolecularWeight: 333.3656

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1CC=C)SCC(=O)NC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=NN=C(N1CC=C)SCC(=O)NC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H15N5O3S/c1-3-8-18-10(2)16-17-14(18)23-9-13(20)15-11-4-6-12(7-5-11)19(21)22/h3-7H,1,8-9H2,2H3,(H,15,20)