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

Systemtic Name: N-(4-nitrophenyl)-2-[[5-(3-propan-2-yloxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[4-allyl-5-(3-isopropoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-nitrophenyl)acetamide CAS Name: N-(4-nitrophenyl)-2-[[5-(3-propan-2-yloxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(4-nitrophenyl)-2-[[5-(3-propan-2-yloxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: 2-[[4-allyl-5-(3-isopropoxyphenyl)-1,2,4-triazol-3-yl]thio]-N-(4-nitrophenyl)acetamide Formula: C22H23N5O4S MolecularWeight: 453.51412

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC(=C1)C2=NN=C(N2CC=C)SCC(=O)NC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)OC1=CC=CC(=C1)C2=NN=C(N2CC=C)SCC(=O)NC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H23N5O4S/c1-4-12-26-21(16-6-5-7-19(13-16)31-15(2)3)24-25-22(26)32-14-20(28)23-17-8-10-18(11-9-17)27(29)30/h4-11,13,15H,1,12,14H2,2-3H3,(H,23,28)