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

Systemtic Name: N-(2-nitrophenyl)-2-[(5-propan-2-yl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: 2-[(4-allyl-5-isopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-nitrophenyl)acetamide CAS Name: N-(2-nitrophenyl)-2-[(5-propan-2-yl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(2-nitrophenyl)-2-[(5-propan-2-yl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: 2-[(4-allyl-5-isopropyl-1,2,4-triazol-3-yl)thio]-N-(2-nitrophenyl)acetamide Formula: C16H19N5O3S MolecularWeight: 361.41876

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NN=C(N1CC=C)SCC(=O)NC2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=NN=C(N1CC=C)SCC(=O)NC2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C16H19N5O3S/c1-4-9-20-15(11(2)3)18-19-16(20)25-10-14(22)17-12-7-5-6-8-13(12)21(23)24/h4-8,11H,1,9-10H2,2-3H3,(H,17,22)