4-methyl-N-[[5-(phenylmethylsulfanyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]aniline

Systemtic Name: 4-methyl-N-[[5-(phenylmethylsulfanyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]aniline Openeye Name: N-[(4-allyl-5-benzylsulfanyl-1,2,4-triazol-3-yl)methyl]-4-methyl-aniline CAS Name: 4-methyl-N-[[5-(phenylmethylthio)-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]aniline IUPAC Name: N-[(5-benzylsulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl)methyl]-4-methylaniline Traditional Name: [4-allyl-5-(benzylthio)-1,2,4-triazol-3-yl]methyl-(p-tolyl)amine Formula: C20H22N4S MolecularWeight: 350.48048

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NCC2=NN=C(N2CC=C)SCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)NCC2=NN=C(N2CC=C)SCC3=CC=CC=C3

InChI

InChI=1S/C20H22N4S/c1-3-13-24-19(14-21-18-11-9-16(2)10-12-18)22-23-20(24)25-15-17-7-5-4-6-8-17/h3-12,21H,1,13-15H2,2H3