2-[[4-azanyl-5-(3-propan-2-yloxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-dimethylaminophenyl)ethanamide

Systemtic Name: 2-[[4-azanyl-5-(3-propan-2-yloxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-dimethylaminophenyl)ethanamide Openeye Name: 2-[[4-amino-5-(3-isopropoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-dimethylaminophenyl)acetamide CAS Name: 2-[[4-amino-5-(3-propan-2-yloxyphenyl)-1,2,4-triazol-3-yl]thio]-N-(4-dimethylaminophenyl)acetamide IUPAC Name: 2-[[4-amino-5-(3-propan-2-yloxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-dimethylaminophenyl)acetamide Traditional Name: 2-[[4-amino-5-(3-isopropoxyphenyl)-1,2,4-triazol-3-yl]thio]-N-(4-dimethylaminophenyl)acetamide Formula: C21H26N6O2S MolecularWeight: 426.53514

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC(=C1)C2=NN=C(N2N)SCC(=O)NC3=CC=C(C=C3)N(C)C

Isomeric SMILES

CC(C)OC1=CC=CC(=C1)C2=NN=C(N2N)SCC(=O)NC3=CC=C(C=C3)N(C)C

InChI

InChI=1S/C21H26N6O2S/c1-14(2)29-18-7-5-6-15(12-18)20-24-25-21(27(20)22)30-13-19(28)23-16-8-10-17(11-9-16)26(3)4/h5-12,14H,13,22H2,1-4H3,(H,23,28)