2,3-dimethyl-5-[5-(phenylmethylsulfanyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]-1H-indole

Systemtic Name: 2,3-dimethyl-5-[5-(phenylmethylsulfanyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]-1H-indole Openeye Name: 5-(4-allyl-5-benzylsulfanyl-1,2,4-triazol-3-yl)-2,3-dimethyl-1H-indole CAS Name: 2,3-dimethyl-5-[5-(phenylmethylthio)-4-prop-2-enyl-1,2,4-triazol-3-yl]-1H-indole IUPAC Name: 5-(5-benzylsulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl)-2,3-dimethyl-1H-indole Traditional Name: 5-[4-allyl-5-(benzylthio)-1,2,4-triazol-3-yl]-2,3-dimethyl-1H-indole Formula: C22H22N4S MolecularWeight: 374.50188

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC2=C1C=C(C=C2)C3=NN=C(N3CC=C)SCC4=CC=CC=C4)C

Isomeric SMILES

CC1=C(NC2=C1C=C(C=C2)C3=NN=C(N3CC=C)SCC4=CC=CC=C4)C

InChI

InChI=1S/C22H22N4S/c1-4-12-26-21(18-10-11-20-19(13-18)15(2)16(3)23-20)24-25-22(26)27-14-17-8-6-5-7-9-17/h4-11,13,23H,1,12,14H2,2-3H3