N-tert-butyl-2-[[3-(4-methoxyphenyl)-4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-methyl-amino]ethanamide

Systemtic Name: N-tert-butyl-2-[[3-(4-methoxyphenyl)-4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-methyl-amino]ethanamide Openeye Name: 2-[[4-allyl-3-(4-methoxyphenyl)-5-thioxo-1,2,4-triazol-1-yl]methyl-methyl-amino]-N-tert-butyl-acetamide CAS Name: N-tert-butyl-2-[[3-(4-methoxyphenyl)-4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-methylamino]acetamide IUPAC Name: N-tert-butyl-2-[[3-(4-methoxyphenyl)-4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-methylamino]acetamide Traditional Name: 2-[[4-allyl-3-(4-methoxyphenyl)-5-thioxo-1,2,4-triazol-1-yl]methyl-methyl-amino]-N-tert-butyl-acetamide Formula: C20H29N5O2S MolecularWeight: 403.54156

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)CN(C)CN1C(=S)N(C(=N1)C2=CC=C(C=C2)OC)CC=C

Isomeric SMILES

CC(C)(C)NC(=O)CN(C)CN1C(=S)N(C(=N1)C2=CC=C(C=C2)OC)CC=C

InChI

InChI=1S/C20H29N5O2S/c1-7-12-24-18(15-8-10-16(27-6)11-9-15)22-25(19(24)28)14-23(5)13-17(26)21-20(2,3)4/h7-11H,1,12-14H2,2-6H3,(H,21,26)