3-(4,5-dimethylthiophen-3-yl)-5-(naphthalen-1-ylmethylsulfanyl)-4-prop-2-enyl-1,2,4-triazole

Systemtic Name: 3-(4,5-dimethylthiophen-3-yl)-5-(naphthalen-1-ylmethylsulfanyl)-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-(4,5-dimethyl-3-thienyl)-5-(1-naphthylmethylsulfanyl)-1,2,4-triazole CAS Name: 3-(4,5-dimethyl-3-thiophenyl)-5-(1-naphthalenylmethylthio)-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-(4,5-dimethylthiophen-3-yl)-5-(naphthalen-1-ylmethylsulfanyl)-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-(4,5-dimethyl-3-thienyl)-5-(1-naphthylmethylthio)-1,2,4-triazole Formula: C22H21N3S2 MolecularWeight: 391.55224

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1C2=NN=C(N2CC=C)SCC3=CC=CC4=CC=CC=C43)C

Isomeric SMILES

CC1=C(SC=C1C2=NN=C(N2CC=C)SCC3=CC=CC4=CC=CC=C43)C

InChI

InChI=1S/C22H21N3S2/c1-4-12-25-21(20-14-26-16(3)15(20)2)23-24-22(25)27-13-18-10-7-9-17-8-5-6-11-19(17)18/h4-11,14H,1,12-13H2,2-3H3