N-(2-methoxyphenyl)-2-[(4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-propyl-amino]ethanamide

Systemtic Name: N-(2-methoxyphenyl)-2-[(4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-propyl-amino]ethanamide Openeye Name: 2-[(4-allyl-5-thioxo-1,2,4-triazol-1-yl)methyl-propyl-amino]-N-(2-methoxyphenyl)acetamide CAS Name: N-(2-methoxyphenyl)-2-[(4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-propylamino]acetamide IUPAC Name: N-(2-methoxyphenyl)-2-[(4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-propylamino]acetamide Traditional Name: 2-[(4-allyl-5-thioxo-1,2,4-triazol-1-yl)methyl-propyl-amino]-N-(2-methoxyphenyl)acetamide Formula: C18H25N5O2S MolecularWeight: 375.4884

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC(=O)NC1=CC=CC=C1OC)CN2C(=S)N(C=N2)CC=C

Isomeric SMILES

CCCN(CC(=O)NC1=CC=CC=C1OC)CN2C(=S)N(C=N2)CC=C

InChI

InChI=1S/C18H25N5O2S/c1-4-10-21(14-23-18(26)22(11-5-2)13-19-23)12-17(24)20-15-8-6-7-9-16(15)25-3/h5-9,13H,2,4,10-12,14H2,1,3H3,(H,20,24)