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

Systemtic Name: 2-[3-[[(3-chloranyl-2-methyl-phenyl)amino]methyl]-4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl]-1-phenyl-ethanone Openeye Name: 2-[4-allyl-3-[(3-chloro-2-methyl-anilino)methyl]-5-thioxo-1,2,4-triazol-1-yl]-1-phenyl-ethanone CAS Name: 2-[3-[(3-chloro-2-methylanilino)methyl]-4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl]-1-phenylethanone IUPAC Name: 2-[3-[(3-chloro-2-methylanilino)methyl]-4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl]-1-phenylethanone Traditional Name: 2-[4-allyl-3-[(3-chloro-2-methyl-anilino)methyl]-5-thioxo-1,2,4-triazol-1-yl]-1-phenyl-ethanone Formula: C21H21ClN4OS MolecularWeight: 412.93564

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NCC2=NN(C(=S)N2CC=C)CC(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C=CC=C1Cl)NCC2=NN(C(=S)N2CC=C)CC(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H21ClN4OS/c1-3-12-25-20(13-23-18-11-7-10-17(22)15(18)2)24-26(21(25)28)14-19(27)16-8-5-4-6-9-16/h3-11,23H,1,12-14H2,2H3