N-[2-iodanyl-4-(1,2,4-triazol-1-ylmethyl)phenyl]-N-prop-2-ynyl-ethanamide

Systemtic Name: N-[2-iodanyl-4-(1,2,4-triazol-1-ylmethyl)phenyl]-N-prop-2-ynyl-ethanamide Openeye Name: N-[2-iodo-4-(1,2,4-triazol-1-ylmethyl)phenyl]-N-prop-2-ynyl-acetamide CAS Name: N-[2-iodo-4-(1,2,4-triazol-1-ylmethyl)phenyl]-N-prop-2-ynylacetamide IUPAC Name: N-[2-iodo-4-(1,2,4-triazol-1-ylmethyl)phenyl]-N-prop-2-ynylacetamide Traditional Name: N-[2-iodo-4-(1,2,4-triazol-1-ylmethyl)phenyl]-N-propargyl-acetamide Formula: C14H13IN4O MolecularWeight: 380.18369

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(CC#C)C1=C(C=C(C=C1)CN2C=NC=N2)I

Isomeric SMILES

CC(=O)N(CC#C)C1=C(C=C(C=C1)CN2C=NC=N2)I

InChI

InChI=1S/C14H13IN4O/c1-3-6-19(11(2)20)14-5-4-12(7-13(14)15)8-18-10-16-9-17-18/h1,4-5,7,9-10H,6,8H2,2H3