methyl 4-[[methyl-[(3-phenyl-4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]amino]methyl]benzoate

Systemtic Name: methyl 4-[[methyl-[(3-phenyl-4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]amino]methyl]benzoate Openeye Name: methyl 4-[[(4-allyl-3-phenyl-5-thioxo-1,2,4-triazol-1-yl)methyl-methyl-amino]methyl]benzoate CAS Name: 4-[[methyl-[(3-phenyl-4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[methyl-[(3-phenyl-4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]amino]methyl]benzoate Traditional Name: 4-[[(4-allyl-3-phenyl-5-thioxo-1,2,4-triazol-1-yl)methyl-methyl-amino]methyl]benzoic acid methyl ester Formula: C22H24N4O2S MolecularWeight: 408.51656

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)C(=O)OC)CN2C(=S)N(C(=N2)C3=CC=CC=C3)CC=C

Isomeric SMILES

CN(CC1=CC=C(C=C1)C(=O)OC)CN2C(=S)N(C(=N2)C3=CC=CC=C3)CC=C

InChI

InChI=1S/C22H24N4O2S/c1-4-14-25-20(18-8-6-5-7-9-18)23-26(22(25)29)16-24(2)15-17-10-12-19(13-11-17)21(27)28-3/h4-13H,1,14-16H2,2-3H3