4-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-(3,4-dimethoxyphenyl)-1,3-thiazole

Systemtic Name: 4-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-(3,4-dimethoxyphenyl)-1,3-thiazole Openeye Name: 4-[(4-allyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-(3,4-dimethoxyphenyl)thiazole CAS Name: 4-[[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]methyl]-2-(3,4-dimethoxyphenyl)thiazole IUPAC Name: 4-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-(3,4-dimethoxyphenyl)-1,3-thiazole Traditional Name: 4-[[(4-allyl-5-cyclopropyl-1,2,4-triazol-3-yl)thio]methyl]-2-(3,4-dimethoxyphenyl)thiazole Formula: C20H22N4O2S2 MolecularWeight: 414.54428

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC(=CS2)CSC3=NN=C(N3CC=C)C4CC4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC(=CS2)CSC3=NN=C(N3CC=C)C4CC4)OC

InChI

InChI=1S/C20H22N4O2S2/c1-4-9-24-18(13-5-6-13)22-23-20(24)28-12-15-11-27-19(21-15)14-7-8-16(25-2)17(10-14)26-3/h4,7-8,10-11,13H,1,5-6,9,12H2,2-3H3