1-(1H-indol-2-yl)-N-methyl-N-[[5-(oxolan-2-ylmethylsulfanyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]methanamine

Systemtic Name: 1-(1H-indol-2-yl)-N-methyl-N-[[5-(oxolan-2-ylmethylsulfanyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]methanamine Openeye Name: N-[[4-allyl-5-(tetrahydrofuran-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]-1-(1H-indol-2-yl)-N-methyl-methanamine CAS Name: 1-(1H-indol-2-yl)-N-methyl-N-[[5-(2-oxolanylmethylthio)-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]methanamine IUPAC Name: 1-(1H-indol-2-yl)-N-methyl-N-[[5-(oxolan-2-ylmethylsulfanyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]methanamine Traditional Name: [4-allyl-5-(tetrahydrofurfurylthio)-1,2,4-triazol-3-yl]methyl-(1H-indol-2-ylmethyl)-methyl-amine Formula: C21H27N5OS MolecularWeight: 397.53698

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC2=CC=CC=C2N1)CC3=NN=C(N3CC=C)SCC4CCCO4

Isomeric SMILES

CN(CC1=CC2=CC=CC=C2N1)CC3=NN=C(N3CC=C)SCC4CCCO4

InChI

InChI=1S/C21H27N5OS/c1-3-10-26-20(23-24-21(26)28-15-18-8-6-11-27-18)14-25(2)13-17-12-16-7-4-5-9-19(16)22-17/h3-5,7,9,12,18,22H,1,6,8,10-11,13-15H2,2H3