3-[(2-chlorophenyl)methylsulfanyl]-5-(4-propan-2-ylphenyl)-4-prop-2-enyl-1,2,4-triazole

Systemtic Name: 3-[(2-chlorophenyl)methylsulfanyl]-5-(4-propan-2-ylphenyl)-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-[(2-chlorophenyl)methylsulfanyl]-5-(4-isopropylphenyl)-1,2,4-triazole CAS Name: 3-[(2-chlorophenyl)methylthio]-5-(4-propan-2-ylphenyl)-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-[(2-chlorophenyl)methylsulfanyl]-5-(4-propan-2-ylphenyl)-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-[(2-chlorobenzyl)thio]-5-p-cumenyl-1,2,4-triazole Formula: C21H22ClN3S MolecularWeight: 383.93748

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C2=NN=C(N2CC=C)SCC3=CC=CC=C3Cl

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C2=NN=C(N2CC=C)SCC3=CC=CC=C3Cl

InChI

InChI=1S/C21H22ClN3S/c1-4-13-25-20(17-11-9-16(10-12-17)15(2)3)23-24-21(25)26-14-18-7-5-6-8-19(18)22/h4-12,15H,1,13-14H2,2-3H3