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

Systemtic Name: 2-(3-methoxyphenyl)-4-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazole Openeye Name: 4-[[4-allyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-2-(3-methoxyphenyl)thiazole CAS Name: 2-(3-methoxyphenyl)-4-[[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]methyl]thiazole IUPAC Name: 2-(3-methoxyphenyl)-4-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazole Traditional Name: 4-[[[4-allyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]-2-(3-methoxyphenyl)thiazole Formula: C21H19N5OS2 MolecularWeight: 421.53846

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=NC(=CS2)CSC3=NN=C(N3CC=C)C4=CC=NC=C4

Isomeric SMILES

COC1=CC=CC(=C1)C2=NC(=CS2)CSC3=NN=C(N3CC=C)C4=CC=NC=C4

InChI

InChI=1S/C21H19N5OS2/c1-3-11-26-19(15-7-9-22-10-8-15)24-25-21(26)29-14-17-13-28-20(23-17)16-5-4-6-18(12-16)27-2/h3-10,12-13H,1,11,14H2,2H3