1,3-benzothiazol-2-ylmethyl-methyl-[[3-(2-methylfuran-3-yl)-4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]azanium

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-methyl-[[3-(2-methylfuran-3-yl)-4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]azanium Openeye Name: [4-allyl-3-(2-methyl-3-furyl)-5-thioxo-1,2,4-triazol-1-yl]methyl-(1,3-benzothiazol-2-ylmethyl)-methyl-ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-methyl-[[3-(2-methyl-3-furanyl)-4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]ammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-methyl-[[3-(2-methylfuran-3-yl)-4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]azanium Traditional Name: [4-allyl-3-(2-methyl-3-furyl)-5-thioxo-1,2,4-triazol-1-yl]methyl-(1,3-benzothiazol-2-ylmethyl)-methyl-ammonium Formula: C20H22N5OS2+ MolecularWeight: 412.55158

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CO1)C2=NN(C(=S)N2CC=C)C[NH+](C)CC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=C(C=CO1)C2=NN(C(=S)N2CC=C)C[NH+](C)CC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H21N5OS2/c1-4-10-24-19(15-9-11-26-14(15)2)22-25(20(24)27)13-23(3)12-18-21-16-7-5-6-8-17(16)28-18/h4-9,11H,1,10,12-13H2,2-3H3/p+1