N-[3-[1-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-3-methyl-5-sulfanylidene-1,2,4-triazol-4-yl]phenyl]ethanamide

Systemtic Name: N-[3-[1-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-3-methyl-5-sulfanylidene-1,2,4-triazol-4-yl]phenyl]ethanamide Openeye Name: N-[3-[1-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-3-methyl-5-thioxo-1,2,4-triazol-4-yl]phenyl]acetamide CAS Name: N-[3-[1-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-3-methyl-5-sulfanylidene-1,2,4-triazol-4-yl]phenyl]acetamide IUPAC Name: N-[3-[1-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-3-methyl-5-sulfanylidene-1,2,4-triazol-4-yl]phenyl]acetamide Traditional Name: N-[3-[1-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-3-methyl-5-thioxo-1,2,4-triazol-4-yl]phenyl]acetamide Formula: C21H23N5OS MolecularWeight: 393.50522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=S)N1C2=CC(=CC=C2)NC(=O)C)CN3CCC4=CC=CC=C4C3

Isomeric SMILES

CC1=NN(C(=S)N1C2=CC(=CC=C2)NC(=O)C)CN3CCC4=CC=CC=C4C3

InChI

InChI=1S/C21H23N5OS/c1-15-23-25(14-24-11-10-17-6-3-4-7-18(17)13-24)21(28)26(15)20-9-5-8-19(12-20)22-16(2)27/h3-9,12H,10-11,13-14H2,1-2H3,(H,22,27)