4-[[4-azanyl-5-(2-bromophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-6-chloranyl-7-ethyl-chromen-2-one

Systemtic Name: 4-[[4-azanyl-5-(2-bromophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-6-chloranyl-7-ethyl-chromen-2-one Openeye Name: 4-[[4-amino-5-(2-bromophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-6-chloro-7-ethyl-chromen-2-one CAS Name: 4-[[[4-amino-5-(2-bromophenyl)-1,2,4-triazol-3-yl]thio]methyl]-6-chloro-7-ethyl-1-benzopyran-2-one IUPAC Name: 4-[[4-amino-5-(2-bromophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-6-chloro-7-ethylchromen-2-one Traditional Name: 4-[[[4-amino-5-(2-bromophenyl)-1,2,4-triazol-3-yl]thio]methyl]-6-chloro-7-ethyl-coumarin Formula: C20H16BrClN4O2S MolecularWeight: 491.78864

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NN=C(N3N)C4=CC=CC=C4Br)Cl

Isomeric SMILES

CCC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NN=C(N3N)C4=CC=CC=C4Br)Cl

InChI

InChI=1S/C20H16BrClN4O2S/c1-2-11-7-17-14(9-16(11)22)12(8-18(27)28-17)10-29-20-25-24-19(26(20)23)13-5-3-4-6-15(13)21/h3-9H,2,10,23H2,1H3