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

Systemtic Name: N-(4-iodanyl-2-methyl-phenyl)-2-[[5-(3-nitrophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[4-allyl-5-(3-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-iodo-2-methyl-phenyl)acetamide CAS Name: N-(4-iodo-2-methylphenyl)-2-[[5-(3-nitrophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(4-iodo-2-methylphenyl)-2-[[5-(3-nitrophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: 2-[[4-allyl-5-(3-nitrophenyl)-1,2,4-triazol-3-yl]thio]-N-(4-iodo-2-methyl-phenyl)acetamide Formula: C20H18IN5O3S MolecularWeight: 535.35809

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)I)NC(=O)CSC2=NN=C(N2CC=C)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)I)NC(=O)CSC2=NN=C(N2CC=C)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H18IN5O3S/c1-3-9-25-19(14-5-4-6-16(11-14)26(28)29)23-24-20(25)30-12-18(27)22-17-8-7-15(21)10-13(17)2/h3-8,10-11H,1,9,12H2,2H3,(H,22,27)